
 CHEMBL283600

 33 34  0  0  0  0  0  0  0  0999 V2000
    8.2198   -2.9583    0.7996 C   0  0  0  0  0
    7.2004   -2.0273    0.1998 C   0  0  0  0  0
    6.4354   -2.3875   -0.6897 O   0  0  0  0  0
    7.2013   -0.7637    0.7396 N   0  0  0  0  0
    6.3449    0.2886    0.2194 C   0  0  0  0  0
    6.9198    0.9781   -1.0227 C   0  0  0  0  0
    8.2035    1.7024   -0.7425 C   0  0  0  0  0
    8.3318    2.9930   -0.2654 C   0  0  0  0  0
    9.6652    3.2731   -0.1408 N   0  0  0  0  0
   10.4208    2.1892   -0.5253 C   0  0  0  0  0
    9.5309    1.1897   -0.9141 C   0  0  0  0  0
   10.0568   -0.0370   -1.3643 C   0  0  0  0  0
   11.4426   -0.2183   -1.3938 C   0  0  0  0  0
   12.3057    0.8044   -0.9962 C   0  0  0  0  0
   11.8149    2.0430   -0.5633 C   0  0  0  0  0
   12.5740    3.1049   -0.1579 O   0  0  0  0  0
   13.9269    3.1062   -0.5995 C   0  0  0  0  0
    8.8669   -2.4469    1.5174 H   0  0  0  0  0
    8.8448   -3.3669    0.0009 H   0  0  0  0  0
    7.7004   -3.7708    1.3149 H   0  0  0  0  0
    7.9995   -0.4721    1.2910 H   0  0  0  0  0
    6.1996    1.0090    1.0317 H   0  0  0  0  0
    5.3691   -0.1456   -0.0255 H   0  0  0  0  0
    6.1824    1.6982   -1.3992 H   0  0  0  0  0
    7.0756    0.2459   -1.8240 H   0  0  0  0  0
    7.5886    3.7357   -0.0074 H   0  0  0  0  0
   10.0641    4.1445    0.1815 H   0  0  0  0  0
    9.3955   -0.8359   -1.6882 H   0  0  0  0  0
   11.8505   -1.1673   -1.7337 H   0  0  0  0  0
   13.3725    0.6055   -1.0291 H   0  0  0  0  0
   14.3556    4.0839   -0.3591 H   0  0  0  0  0
   13.9949    2.9701   -1.6844 H   0  0  0  0  0
   14.5116    2.3478   -0.0693 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL283600

>  <PubChem CID>
44281145

>  <Formula>
C13H16N2O2

>  <Molecular Weight>
232.283000

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

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCCC1=CNC2=C1C=CC=C2OC

>  <Isomeric SMILES>
CC(=O)NCCC1=CNC2=C1C=CC=C2OC

>  <InChI Std. ID>
InChI=1S/C13H16N2O2/c1-9(16)14-7-6-10-8-15-13-11(10)4-3-5-12(13)17-2/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)

>  <InChI Key>
ODCRWEXUHLLMNN-UHFFFAOYSA-N

