
 CHEMBL231872

 36 37  0  0  0  0  0  0  0  0999 V2000
   -1.2170   -1.5041    0.9453 C   0  0  0  0  0
    0.1942   -1.0676    0.6817 C   0  0  0  0  0
    1.3174   -1.9119    0.7429 C   0  0  0  0  0
    2.6177   -1.4681    0.4947 C   0  0  0  0  0
    2.8253   -0.1067    0.1821 C   0  0  0  0  0
    1.7338    0.7613    0.1165 C   0  0  0  0  0
    0.4461    0.2767    0.3450 C   0  0  0  0  0
    1.8041    2.0954   -0.1872 O   0  0  0  0  0
    3.0702    2.7139    0.0159 C   0  0  0  0  0
    3.4958   -2.5942    0.6213 C   0  0  0  0  0
    2.7095   -3.6761    0.9631 C   0  0  0  0  0
    1.4100   -3.2544    1.0385 N   0  0  0  0  0
    4.9823   -2.5976    0.4195 C   0  0  0  0  0
    5.3921   -3.0395   -0.9903 C   0  0  0  0  0
    4.8892   -2.1703   -2.0403 N   0  0  0  0  0
    5.4750   -0.9577   -2.3168 C   0  0  0  0  0
    6.4813   -0.5423   -1.7524 O   0  0  0  0  0
    4.7502   -0.1539   -3.3627 C   0  0  0  0  0
   -1.6535   -0.8990    1.7468 H   0  0  0  0  0
   -1.2685   -2.5522    1.2533 H   0  0  0  0  0
   -1.8215   -1.3860    0.0403 H   0  0  0  0  0
    3.8363    0.2332   -0.0092 H   0  0  0  0  0
   -0.3887    0.9732    0.2772 H   0  0  0  0  0
    2.9366    3.7928   -0.1074 H   0  0  0  0  0
    3.7958    2.3820   -0.7328 H   0  0  0  0  0
    3.4400    2.5375    1.0315 H   0  0  0  0  0
    2.9646   -4.7085    1.1616 H   0  0  0  0  0
    0.6233   -3.8426    1.2759 H   0  0  0  0  0
    5.4380   -3.2789    1.1487 H   0  0  0  0  0
    5.3867   -1.6015    0.6343 H   0  0  0  0  0
    5.0156   -4.0457   -1.2056 H   0  0  0  0  0
    6.4856   -3.0660   -1.0586 H   0  0  0  0  0
    3.9332   -2.3187   -2.3405 H   0  0  0  0  0
    5.4827    0.3400   -4.0069 H   0  0  0  0  0
    4.1257    0.5964   -2.8716 H   0  0  0  0  0
    4.1212   -0.7919   -3.9898 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL231872

>  <PubChem CID>
44429441

>  <Formula>
C14H18N2O2

>  <Molecular Weight>
246.310000

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

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C2C(=CC(=C1)OC)C(=CN2)CCNC(=O)C

>  <Isomeric SMILES>
CC1=C2C(=CC(=C1)OC)C(=CN2)CCNC(=O)C

>  <InChI Std. ID>
InChI=1S/C14H18N2O2/c1-9-6-12(18-3)7-13-11(8-16-14(9)13)4-5-15-10(2)17/h6-8,16H,4-5H2,1-3H3,(H,15,17)

>  <InChI Key>
UIFGNUAKYFTKEG-UHFFFAOYSA-N

