
 CHEMBL395221

 39 40  0  0  0  0  0  0  0  0999 V2000
    9.9339    0.9424   -4.0222 C   0  0  0  0  0
    9.2030    2.2673   -3.8989 C   0  0  0  0  0
    7.9509    2.1613   -3.0491 C   0  0  0  0  0
    7.5651    1.1198   -2.5286 O   0  0  0  0  0
    7.2755    3.3569   -2.9444 N   0  0  0  0  0
    6.0661    3.4851   -2.1496 C   0  0  0  0  0
    6.3412    3.7747   -0.6705 C   0  0  0  0  0
    6.9589    5.1247   -0.4526 C   0  0  0  0  0
    6.2961    6.3363   -0.4408 C   0  0  0  0  0
    7.2155    7.3263   -0.2251 N   0  0  0  0  0
    8.4789    6.7916   -0.0989 C   0  0  0  0  0
    9.7135    7.4286    0.1219 C   0  0  0  0  0
   10.8445    6.5914    0.2117 C   0  0  0  0  0
   10.7464    5.2044    0.0862 C   0  0  0  0  0
    9.4978    4.6091   -0.1188 C   0  0  0  0  0
    8.3439    5.4087   -0.2234 C   0  0  0  0  0
   11.7895    4.3205    0.1610 O   0  0  0  0  0
   13.0962    4.8657    0.0320 C   0  0  0  0  0
    9.8515    8.9154    0.2583 C   0  0  0  0  0
   10.8056    1.0465   -4.6758 H   0  0  0  0  0
    9.2826    0.1690   -4.4441 H   0  0  0  0  0
   10.2789    0.5922   -3.0436 H   0  0  0  0  0
    8.9115    2.6146   -4.8968 H   0  0  0  0  0
    9.8684    3.0139   -3.4533 H   0  0  0  0  0
    7.7548    4.2103   -3.2026 H   0  0  0  0  0
    5.4913    2.5555   -2.2355 H   0  0  0  0  0
    5.4740    4.2880   -2.6016 H   0  0  0  0  0
    6.9833    2.9942   -0.2457 H   0  0  0  0  0
    5.3932    3.7323   -0.1200 H   0  0  0  0  0
    5.2490    6.5768   -0.5675 H   0  0  0  0  0
    7.0050    8.3123   -0.1648 H   0  0  0  0  0
   11.8077    7.0576    0.3969 H   0  0  0  0  0
    9.4249    3.5280   -0.2008 H   0  0  0  0  0
   13.8013    4.0312   -0.0283 H   0  0  0  0  0
   13.3628    5.4633    0.9094 H   0  0  0  0  0
   13.1929    5.4502   -0.8895 H   0  0  0  0  0
   10.8912    9.2135    0.4285 H   0  0  0  0  0
    9.2550    9.2735    1.1030 H   0  0  0  0  0
    9.5058    9.4089   -0.6565 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  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  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  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 13 14  2  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 17 18  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL395221

>  <PubChem CID>
44429442

>  <Formula>
C15H20N2O2

>  <Molecular Weight>
260.337000

>  <IUPAC Name>
N-[2-(5-methoxy-7-methyl-1H-indol-3-yl)ethyl]propanamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C15H20N2O2/c1-4-14(18)16-6-5-11-9-17-15-10(2)7-12(19-3)8-13(11)15/h7-9,17H,4-6H2,1-3H3,(H,16,18)

>  <InChI Key>
NNMIRFWFPXYTHO-UHFFFAOYSA-N

