
 CHEMBL30930

 41 42  0  0  0  0  0  0  0  0999 V2000
    3.1597   -0.1974    2.0291 C   0  0  0  0  0
    2.5604    1.1786    1.9439 C   0  0  0  0  0
    1.3442    1.3485    2.0133 O   0  0  0  0  0
    3.3725    2.2655    1.8308 N   0  0  0  0  0
    4.8068    2.3168    1.5829 C   0  0  0  0  0
    5.1154    2.3535    0.0830 C   0  0  0  0  0
    6.5814    2.4291   -0.2107 C   0  0  0  0  0
    7.2513    3.5904   -0.5498 C   0  0  0  0  0
    8.5786    3.3012   -0.6788 N   0  0  0  0  0
    8.8009    1.9735   -0.4045 C   0  0  0  0  0
   10.0091    1.2776   -0.3418 C   0  0  0  0  0
    9.9782   -0.0740    0.0174 C   0  0  0  0  0
    8.7630   -0.7316    0.2788 C   0  0  0  0  0
    7.5431   -0.0261    0.1194 C   0  0  0  0  0
    7.5647    1.3727   -0.1593 C   0  0  0  0  0
    6.3371   -0.6527    0.3473 O   0  0  0  0  0
    5.6969   -0.9879   -0.8898 C   0  0  0  0  0
    8.8810   -1.9905    0.8155 O   0  0  0  0  0
    7.9067   -2.9613    0.4770 C   0  0  0  0  0
   11.2329   -0.6258    0.1455 O   0  0  0  0  0
   11.3763   -1.9387   -0.3875 C   0  0  0  0  0
    4.1551   -0.2501    1.5974 H   0  0  0  0  0
    2.5260   -0.8949    1.4734 H   0  0  0  0  0
    3.2058   -0.5038    3.0773 H   0  0  0  0  0
    2.8557    3.1360    1.7836 H   0  0  0  0  0
    5.3000    1.4747    2.0767 H   0  0  0  0  0
    5.1725    3.2317    2.0637 H   0  0  0  0  0
    4.6166    3.2288   -0.3560 H   0  0  0  0  0
    4.6689    1.4952   -0.4214 H   0  0  0  0  0
    6.8937    4.6026   -0.6891 H   0  0  0  0  0
    9.3043    3.9701   -0.8985 H   0  0  0  0  0
   10.9577    1.7739   -0.5229 H   0  0  0  0  0
    4.6816   -0.5842   -0.8841 H   0  0  0  0  0
    5.6017   -2.0754   -0.9532 H   0  0  0  0  0
    6.2230   -0.6245   -1.7801 H   0  0  0  0  0
    7.0104   -2.8535    1.0934 H   0  0  0  0  0
    8.3309   -3.9450    0.7024 H   0  0  0  0  0
    7.6795   -2.9485   -0.5928 H   0  0  0  0  0
   12.4277   -2.0694   -0.6631 H   0  0  0  0  0
   10.7751   -2.0921   -1.2908 H   0  0  0  0  0
   11.1482   -2.6911    0.3726 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
 13 18  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL30930

>  <PubChem CID>
10517743

>  <Formula>
C15H20N2O4

>  <Molecular Weight>
292.335000

>  <IUPAC Name>
N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]acetamide

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NCCC1=CNC2=CC(=C(C(=C21)OC)OC)OC

>  <Isomeric SMILES>
CC(=O)NCCC1=CNC2=CC(=C(C(=C21)OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C15H20N2O4/c1-9(18)16-6-5-10-8-17-11-7-12(19-2)14(20-3)15(21-4)13(10)11/h7-8,17H,5-6H2,1-4H3,(H,16,18)

>  <InChI Key>
FOCFZONBSMPHBJ-UHFFFAOYSA-N

