
 CHEMBL285477

 37 38  0  0  0  0  0  0  0  0999 V2000
    4.0835    2.8574    4.5495 C   0  0  0  0  0
    3.6929    2.2251    3.2398 C   0  0  0  0  0
    2.6931    1.5247    3.1282 O   0  0  0  0  0
    4.5535    2.5073    2.2008 N   0  0  0  0  0
    4.3882    1.8534    0.9153 C   0  0  0  0  0
    5.1290    2.5625   -0.2200 C   0  0  0  0  0
    6.6225    2.5654   -0.0750 C   0  0  0  0  0
    7.4212    3.6824    0.0851 C   0  0  0  0  0
    8.7251    3.2741    0.1494 N   0  0  0  0  0
    8.8026    1.9052    0.0415 C   0  0  0  0  0
    9.9299    1.0747    0.0531 C   0  0  0  0  0
    9.6995   -0.3013   -0.0555 C   0  0  0  0  0
    8.4129   -0.8173   -0.2279 C   0  0  0  0  0
    7.3077    0.0405   -0.2605 C   0  0  0  0  0
    7.5012    1.4311   -0.1097 C   0  0  0  0  0
    8.3581   -2.1829   -0.3348 O   0  0  0  0  0
    7.1466   -2.7312   -0.8401 C   0  0  0  0  0
   11.1576    1.6612    0.1945 O   0  0  0  0  0
   12.2416    0.9362   -0.3795 C   0  0  0  0  0
    4.9112    3.5619    4.4307 H   0  0  0  0  0
    4.3844    2.0734    5.2494 H   0  0  0  0  0
    3.2248    3.4022    4.9516 H   0  0  0  0  0
    5.4830    2.8390    2.4302 H   0  0  0  0  0
    3.3181    1.8192    0.6806 H   0  0  0  0  0
    4.7261    0.8188    1.0352 H   0  0  0  0  0
    4.7696    3.5971   -0.2920 H   0  0  0  0  0
    4.8747    2.0755   -1.1692 H   0  0  0  0  0
    7.1730    4.7343    0.1427 H   0  0  0  0  0
    9.5341    3.8721    0.2532 H   0  0  0  0  0
   10.5242   -1.0064   -0.0083 H   0  0  0  0  0
    6.2998   -0.3359   -0.3810 H   0  0  0  0  0
    7.2981   -3.8065   -0.9749 H   0  0  0  0  0
    6.8978   -2.3040   -1.8175 H   0  0  0  0  0
    6.3249   -2.5986   -0.1292 H   0  0  0  0  0
   13.1061    1.6057   -0.4213 H   0  0  0  0  0
   12.0171    0.6177   -1.4038 H   0  0  0  0  0
   12.5129    0.0810    0.2474 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 18  1  0  0  0
 12 13  2  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 31  1  0  0  0
 16 17  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL285477

>  <PubChem CID>
10611502

>  <Formula>
C14H18N2O3

>  <Molecular Weight>
262.309000

>  <IUPAC Name>
N-[2-(5,7-dimethoxy-1H-indol-3-yl)ethyl]acetamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCCC1=CNC2=C(C=C(C=C12)OC)OC

>  <Isomeric SMILES>
CC(=O)NCCC1=CNC2=C(C=C(C=C12)OC)OC

>  <InChI Std. ID>
InChI=1S/C14H18N2O3/c1-9(17)15-5-4-10-8-16-14-12(10)6-11(18-2)7-13(14)19-3/h6-8,16H,4-5H2,1-3H3,(H,15,17)

>  <InChI Key>
KANOAYGDYDNMMG-UHFFFAOYSA-N

