22690393
  -OEChem-10101305022D

 35 36  0     0  0  0  0  0  0999 V2000
    3.7320   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    4.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.1300    0.0000 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

$$$$