
 CHEMBL391350

 42 43  0  0  0  0  0  0  0  0999 V2000
    9.3118   -0.4762    2.9965 C   0  0  0  0  0
    9.4692   -1.1339    1.6338 C   0  0  0  0  0
    8.2087   -1.0276    0.7805 C   0  0  0  0  0
    7.8163    0.3942    0.4321 C   0  0  0  0  0
    6.7508    0.8827    0.7960 O   0  0  0  0  0
    8.7248    1.0592   -0.3556 N   0  0  0  0  0
    8.5111    2.4288   -0.7837 C   0  0  0  0  0
    8.9660    3.4707    0.2426 C   0  0  0  0  0
   10.4311    3.4191    0.5690 C   0  0  0  0  0
   10.9695    3.1965    1.8208 C   0  0  0  0  0
   12.3316    3.2472    1.7209 N   0  0  0  0  0
   12.7128    3.4898    0.4198 C   0  0  0  0  0
   13.9963    3.6157   -0.1442 C   0  0  0  0  0
   14.0534    3.8782   -1.5295 C   0  0  0  0  0
   12.9019    4.0115   -2.3026 C   0  0  0  0  0
   11.6449    3.8957   -1.7007 C   0  0  0  0  0
   11.5371    3.6171   -0.3232 C   0  0  0  0  0
   12.8606    4.2583   -3.6490 O   0  0  0  0  0
   14.1047    4.3038   -4.3353 C   0  0  0  0  0
   15.2767    3.5116    0.6335 C   0  0  0  0  0
   10.2060   -0.6506    3.6034 H   0  0  0  0  0
    8.4513   -0.8865    3.5345 H   0  0  0  0  0
    9.1760    0.6054    2.9020 H   0  0  0  0  0
    9.7009   -2.1957    1.7813 H   0  0  0  0  0
   10.3290   -0.6922    1.1184 H   0  0  0  0  0
    7.3645   -1.4992    1.2976 H   0  0  0  0  0
    8.3505   -1.5768   -0.1581 H   0  0  0  0  0
    9.6506    0.6720   -0.4855 H   0  0  0  0  0
    7.4432    2.5693   -0.9864 H   0  0  0  0  0
    9.0405    2.5453   -1.7334 H   0  0  0  0  0
    8.3856    3.3471    1.1659 H   0  0  0  0  0
    8.7326    4.4719   -0.1408 H   0  0  0  0  0
   10.4934    3.0178    2.7763 H   0  0  0  0  0
   12.9718    3.1296    2.4930 H   0  0  0  0  0
   15.0366    3.9812   -1.9803 H   0  0  0  0  0
   10.7539    4.0204   -2.3082 H   0  0  0  0  0
   13.8943    4.4574   -5.3982 H   0  0  0  0  0
   14.6468    3.3573   -4.2380 H   0  0  0  0  0
   14.7128    5.1464   -3.9907 H   0  0  0  0  0
   15.9440    2.7796    0.1669 H   0  0  0  0  0
   15.1025    3.1923    1.6650 H   0  0  0  0  0
   15.7777    4.4848    0.6584 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 17  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 20  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 18 19  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL391350

>  <PubChem CID>
44429443

>  <Formula>
C16H22N2O2

>  <Molecular Weight>
274.364000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C16H22N2O2/c1-4-5-15(19)17-7-6-12-10-18-16-11(2)8-13(20-3)9-14(12)16/h8-10,18H,4-7H2,1-3H3,(H,17,19)

>  <InChI Key>
KNBHYERXCSUCDJ-UHFFFAOYSA-N

