115348
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    7.9939   -1.3373    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    1.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.5747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993    2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7004    1.0376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1072    0.5053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7201    0.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3133    0.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    2.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8886    2.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4919    3.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7100    2.9240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.3743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  2 18  1  0  0  0  0
  3 16  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
115348

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
301

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAgAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAwAAAADAzDngYyxvLJlACoAyVyVACCiCAhIiAImaA+bJgMJuLEsZuEMChk1hHI6Aew0PIOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(2-iodanyl-5-methoxy-1H-indol-3-yl)ethyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
FJDDSMSDZHURBJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
358.017826

> <PUBCHEM_MOLECULAR_FORMULA>
C13H15IN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
358.17487

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I

> <PUBCHEM_CACTVS_TPSA>
54.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
358.017826

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  8
13  15  8
14  15  8
4  10  8
4  9  8
6  10  8
6  7  8
7  12  8
7  9  8
9  13  8

$$$$