
 CHEMBL392422

 45 46  0  0  0  0  0  0  0  0999 V2000
    8.4654    0.2135    4.8962 C   0  0  0  0  0
    8.0479    1.1279    3.7553 C   0  0  0  0  0
    6.6653    0.7578    3.2282 C   0  0  0  0  0
    6.2027    1.6762    2.1151 C   0  0  0  0  0
    5.2440    2.4314    2.2466 O   0  0  0  0  0
    6.9243    1.5620    0.9488 N   0  0  0  0  0
    6.6431    2.3947   -0.2075 C   0  0  0  0  0
    7.1800    3.8231   -0.0771 C   0  0  0  0  0
    8.6780    3.8893   -0.0523 C   0  0  0  0  0
    9.4687    3.9073    1.0755 C   0  0  0  0  0
   10.7804    3.9869    0.6892 N   0  0  0  0  0
   10.8786    4.0401   -0.6907 C   0  0  0  0  0
   11.9894    4.1506   -1.5625 C   0  0  0  0  0
   11.7072    4.1594   -2.9450 C   0  0  0  0  0
   10.4123    4.0860   -3.4515 C   0  0  0  0  0
    9.3360    3.9909   -2.5714 C   0  0  0  0  0
    9.5632    3.9670   -1.1755 C   0  0  0  0  0
   10.3333    4.1189   -4.8180 O   0  0  0  0  0
    9.0315    4.0966   -5.3887 C   0  0  0  0  0
   13.4244    4.2410   -1.1259 C   0  0  0  0  0
   11.8750    4.0190    1.6334 C   0  0  0  0  0
    9.4615    0.4871    5.2577 H   0  0  0  0  0
    8.4984   -0.8308    4.5689 H   0  0  0  0  0
    7.7669    0.2881    5.7358 H   0  0  0  0  0
    8.7954    1.0629    2.9569 H   0  0  0  0  0
    8.0479    2.1682    4.1017 H   0  0  0  0  0
    5.9270    0.8122    4.0372 H   0  0  0  0  0
    6.6548   -0.2722    2.8526 H   0  0  0  0  0
    7.8023    1.0595    0.9568 H   0  0  0  0  0
    5.5563    2.4286   -0.3445 H   0  0  0  0  0
    7.0770    1.8897   -1.0774 H   0  0  0  0  0
    6.7810    4.2968    0.8284 H   0  0  0  0  0
    6.8112    4.4167   -0.9226 H   0  0  0  0  0
    9.1927    3.8781    2.1222 H   0  0  0  0  0
   12.5296    4.2344   -3.6561 H   0  0  0  0  0
    8.3148    3.9363   -2.9271 H   0  0  0  0  0
    9.1423    4.1587   -6.4757 H   0  0  0  0  0
    8.4417    4.9605   -5.0651 H   0  0  0  0  0
    8.5179    3.1572   -5.1594 H   0  0  0  0  0
   14.0859    4.4876   -1.9635 H   0  0  0  0  0
   13.7521    3.2831   -0.7116 H   0  0  0  0  0
   13.5509    5.0298   -0.3795 H   0  0  0  0  0
   12.5974    3.2455    1.3656 H   0  0  0  0  0
   11.4966    3.8149    2.6390 H   0  0  0  0  0
   12.3233    5.0147    1.6091 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  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 12 13  2  0  0  0
 12 17  1  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
 21 43  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL392422

>  <PubChem CID>
44429446

>  <Formula>
C17H24N2O2

>  <Molecular Weight>
288.391000

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

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C17H24N2O2/c1-5-6-16(20)18-8-7-13-11-19(3)17-12(2)9-14(21-4)10-15(13)17/h9-11H,5-8H2,1-4H3,(H,18,20)

>  <InChI Key>
RJCPRDDJRCYLDA-UHFFFAOYSA-N

