
 CHEMBL233516

 42 43  0  0  0  0  0  0  0  0999 V2000
    3.2684    5.2999    5.3166 C   0  0  0  0  0
    4.0574    5.7427    4.0975 C   0  0  0  0  0
    4.4955    4.5734    3.2366 C   0  0  0  0  0
    4.2547    3.4017    3.5034 O   0  0  0  0  0
    5.1848    4.9735    2.1121 N   0  0  0  0  0
    5.7924    4.0115    1.2087 C   0  0  0  0  0
    5.9289    4.5451   -0.2197 C   0  0  0  0  0
    6.8999    5.6818   -0.3389 C   0  0  0  0  0
    8.2546    5.5739   -0.5643 C   0  0  0  0  0
    8.7915    6.8342   -0.6137 N   0  0  0  0  0
    7.8114    7.7892   -0.4024 C   0  0  0  0  0
    7.8547    9.2042   -0.3384 C   0  0  0  0  0
    6.6286    9.8730   -0.1135 C   0  0  0  0  0
    5.4260    9.1901    0.0368 C   0  0  0  0  0
    5.4151    7.7975   -0.0328 C   0  0  0  0  0
    6.6108    7.0808   -0.2466 C   0  0  0  0  0
    4.1996    9.7551    0.2607 O   0  0  0  0  0
    4.1410   11.1749    0.3094 C   0  0  0  0  0
    9.1025   10.0286   -0.4940 C   0  0  0  0  0
   10.1938    7.0812   -0.8668 C   0  0  0  0  0
    2.9647    6.1677    5.9102 H   0  0  0  0  0
    3.8672    4.6414    5.9545 H   0  0  0  0  0
    2.3661    4.7529    5.0236 H   0  0  0  0  0
    4.9496    6.2915    4.4190 H   0  0  0  0  0
    3.4417    6.4126    3.4868 H   0  0  0  0  0
    5.5476    5.9200    2.0921 H   0  0  0  0  0
    5.1820    3.1016    1.1980 H   0  0  0  0  0
    6.7706    3.7491    1.6277 H   0  0  0  0  0
    4.9469    4.8574   -0.5957 H   0  0  0  0  0
    6.2643    3.7269   -0.8696 H   0  0  0  0  0
    8.8747    4.6967   -0.7002 H   0  0  0  0  0
    6.6488   10.9580   -0.0612 H   0  0  0  0  0
    4.4740    7.2654    0.0782 H   0  0  0  0  0
    3.0980   11.4608    0.4761 H   0  0  0  0  0
    4.4594   11.6169   -0.6405 H   0  0  0  0  0
    4.7304   11.5650    1.1457 H   0  0  0  0  0
    8.8994   11.0984   -0.3763 H   0  0  0  0  0
    9.5296    9.8851   -1.4905 H   0  0  0  0  0
    9.8372    9.7531    0.2679 H   0  0  0  0  0
   10.2844    7.6922   -1.7674 H   0  0  0  0  0
   10.7111    6.1310   -1.0272 H   0  0  0  0  0
   10.6237    7.5809    0.0037 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  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  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  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 20  1  0  0  0
 11 12  2  0  0  0
 11 16  1  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
 20 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233516

>  <PubChem CID>
44429445

>  <Formula>
C16H22N2O2

>  <Molecular Weight>
274.364000

>  <IUPAC Name>
N-[2-(5-methoxy-1,7-dimethylindol-3-yl)ethyl]propanamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC(=O)NCCC1=CN(C2=C(C=C(C=C12)OC)C)C

>  <Isomeric SMILES>
CCC(=O)NCCC1=CN(C2=C(C=C(C=C12)OC)C)C

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

>  <InChI Key>
CEODAXGMKGFRFM-UHFFFAOYSA-N

