
 CHEMBL284158

 32 33  0  0  0  0  0  0  0  0999 V2000
    0.7007   -1.3686    0.2660 C   0  0  0  0  0
    2.2010   -1.3447    0.2418 C   0  0  0  0  0
    2.8747   -0.1169    0.1329 C   0  0  0  0  0
    4.2853   -0.0814    0.1338 C   0  0  0  0  0
    4.9794   -1.2828    0.2663 C   0  0  0  0  0
    4.3350   -2.5180    0.3947 C   0  0  0  0  0
    2.9356   -2.5258    0.3823 C   0  0  0  0  0
    6.3201   -0.9788    0.2528 N   0  0  0  0  0
    6.4988    0.3701    0.1011 C   0  0  0  0  0
    5.2554    0.9669    0.0211 C   0  0  0  0  0
    4.9770    2.4302   -0.1577 C   0  0  0  0  0
    4.9679    2.8556   -1.6305 C   0  0  0  0  0
    3.9082    2.2268   -2.4004 N   0  0  0  0  0
    2.6201    2.7083   -2.3824 C   0  0  0  0  0
    2.2865    3.7457   -1.8195 O   0  0  0  0  0
    1.6462    1.8628   -3.1573 C   0  0  0  0  0
    0.3158   -2.3642    0.0214 H   0  0  0  0  0
    0.2938   -0.6714   -0.4742 H   0  0  0  0  0
    0.3376   -1.0880    1.2595 H   0  0  0  0  0
    2.3127    0.8101    0.0525 H   0  0  0  0  0
    4.8936   -3.4416    0.5064 H   0  0  0  0  0
    2.4189   -3.4776    0.4898 H   0  0  0  0  0
    7.0617   -1.6592    0.3446 H   0  0  0  0  0
    7.4951    0.7912    0.0666 H   0  0  0  0  0
    5.7481    3.0046    0.3706 H   0  0  0  0  0
    4.0212    2.6849    0.3154 H   0  0  0  0  0
    5.9134    2.5916   -2.1172 H   0  0  0  0  0
    4.8469    3.9429   -1.6938 H   0  0  0  0  0
    4.0612    1.2692   -2.6935 H   0  0  0  0  0
    1.9090    0.8031   -3.0947 H   0  0  0  0  0
    1.6478    2.1785   -4.2038 H   0  0  0  0  0
    0.6440    1.9898   -2.7388 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL284158

>  <PubChem CID>
699129

>  <Formula>
C13H16N2O

>  <Molecular Weight>
216.284000

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

>  <XlogP>
1.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=CC2=C(C=C1)NC=C2CCNC(=O)C

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)NC=C2CCNC(=O)C

>  <InChI Std. ID>
InChI=1S/C13H16N2O/c1-9-3-4-13-12(7-9)11(8-15-13)5-6-14-10(2)16/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)

>  <InChI Key>
MUZPBNQEMRYLDI-UHFFFAOYSA-N

