22690393
 Wcorina  10100417223D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 35 36  0     0  0  0  0  0  0999 V2000
   -0.1361    1.6642    0.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    5.6065    1.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8748    4.0019   -0.0230 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5103    6.8370    1.6896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1888    0.2407   -0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6257   -0.2127   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0961    2.2391    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6051    3.4096   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    3.6167    0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2297    1.4472   -0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4704    4.2012    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4813    2.0303   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3398   -0.3239   -1.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2279   -0.5228    1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6578   -0.7398   -1.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5459   -0.9386    1.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173    5.0898    0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2616   -1.0448   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5088    5.6642    0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697   -0.0664   -1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -0.2102    0.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3366    4.2324    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1332    0.3743   -0.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5660    5.2741    0.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3635    1.4140   -0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8681   -0.0856   -2.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6685   -0.4404    2.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5793    3.6291   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2160   -0.8260   -2.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0163   -1.1812    2.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2915   -1.3694    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8298    5.9618   -0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930    4.9120    1.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1551    6.6006    2.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4329    7.2406    1.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2 17  2  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 28  1  0  0  0  0
  4 19  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 14 27  1  0  0  0  0
 15 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22690393

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
269

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADAzhmAYwxoLABACIAiVSUACCCAAhIgAIiICGbIgMZiLEsZuWOCjk1BHI6AewwCAOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-N-(4-benzyloxyphenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-N-(4-phenylmethoxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-amino-N-(4-phenylmethoxyphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-N-(4-phenylmethoxyphenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-N-(4-benzoxyphenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
YJPUATSIKWOSST-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
256.121178

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
256.29974

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CN

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
256.121178

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
13  15  8
14  16  8
15  18  8
16  18  8
6  13  8
6  14  8
7  10  8
7  9  8
8  11  8
8  12  8
9  11  8

$$$$