
 Luzindole,5-MeOT-N-hexanyl

 58 60  0  0  0  0  0  0  0  0999 V2000
    3.5887   10.0809   -4.2187 C   0  0  0  0  0
    3.3798    9.0607   -3.1106 C   0  0  0  0  0
    4.4041    7.9291   -3.1930 C   0  0  0  0  0
    4.2469    6.9490   -2.0257 C   0  0  0  0  0
    5.2786    5.8215   -2.0668 C   0  0  0  0  0
    6.6890    6.2810   -1.7394 C   0  0  0  0  0
    6.9601    7.3859   -1.2832 O   0  0  0  0  0
    7.6395    5.3138   -1.9871 N   0  0  0  0  0
    9.0544    5.5665   -1.7810 C   0  0  0  0  0
    9.4624    5.4871   -0.3086 C   0  0  0  0  0
   10.9262    5.7484   -0.1176 C   0  0  0  0  0
   11.5250    6.9680    0.1647 C   0  0  0  0  0
   12.8793    6.7524    0.2568 N   0  0  0  0  0
   13.1763    5.4290    0.0437 C   0  0  0  0  0
   11.9728    4.7721   -0.1931 C   0  0  0  0  0
   12.0081    3.3837   -0.4395 C   0  0  0  0  0
   13.2313    2.6985   -0.4392 C   0  0  0  0  0
   14.4161    3.3919   -0.1966 C   0  0  0  0  0
   14.4105    4.7712    0.0492 C   0  0  0  0  0
   13.1248    1.3556   -0.6891 O   0  0  0  0  0
   14.3311    0.6031   -0.6808 C   0  0  0  0  0
   10.9466    8.3366    0.3647 C   0  0  0  0  0
   10.7915    8.6901    1.8266 C   0  0  0  0  0
   11.8602    9.2396    2.5509 C   0  0  0  0  0
   11.7220    9.5276    3.9099 C   0  0  0  0  0
   10.5157    9.2718    4.5585 C   0  0  0  0  0
    9.4459    8.7296    3.8492 C   0  0  0  0  0
    9.5828    8.4385    2.4911 C   0  0  0  0  0
    2.8460   10.8814   -4.1428 H   0  0  0  0  0
    3.4900    9.6165   -5.2051 H   0  0  0  0  0
    4.5831   10.5345   -4.1507 H   0  0  0  0  0
    2.3657    8.6511   -3.1817 H   0  0  0  0  0
    3.4590    9.5663   -2.1413 H   0  0  0  0  0
    5.4133    8.3558   -3.1943 H   0  0  0  0  0
    4.2825    7.3925   -4.1420 H   0  0  0  0  0
    3.2441    6.5061   -2.0669 H   0  0  0  0  0
    4.3186    7.4885   -1.0737 H   0  0  0  0  0
    5.2742    5.3431   -3.0531 H   0  0  0  0  0
    5.0054    5.0627   -1.3235 H   0  0  0  0  0
    7.3484    4.3894   -2.2774 H   0  0  0  0  0
    9.2906    6.5563   -2.1896 H   0  0  0  0  0
    9.5998    4.8246   -2.3747 H   0  0  0  0  0
    9.2096    4.4964    0.0899 H   0  0  0  0  0
    8.8775    6.1992    0.2841 H   0  0  0  0  0
   13.5638    7.4624    0.4692 H   0  0  0  0  0
   11.0881    2.8381   -0.6245 H   0  0  0  0  0
   15.3770    2.8880   -0.1884 H   0  0  0  0  0
   15.3361    5.3041    0.2404 H   0  0  0  0  0
   14.0750   -0.4413   -0.8835 H   0  0  0  0  0
   14.8152    0.6422    0.3007 H   0  0  0  0  0
   15.0104    0.9384   -1.4715 H   0  0  0  0  0
    9.9751    8.4142   -0.1396 H   0  0  0  0  0
   11.5849    9.0854   -0.1228 H   0  0  0  0  0
   12.8084    9.4447    2.0615 H   0  0  0  0  0
   12.5566    9.9484    4.4639 H   0  0  0  0  0
   10.4089    9.4927    5.6170 H   0  0  0  0  0
    8.5042    8.5283    4.3529 H   0  0  0  0  0
    8.7401    8.0109    1.9514 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 15  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 22  1  0  0  0
 13 14  1  0  0  0
 13 45  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 46  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 47  1  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 22 53  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 54  1  0  0  0
 25 26  2  0  0  0
 25 55  1  0  0  0
 26 27  1  0  0  0
 26 56  1  0  0  0
 27 28  2  0  0  0
 27 57  1  0  0  0
 28 58  1  0  0  0
M  END

>  <Chemical Name>
Luzindole,5-MeOT-N-hexanyl

>  <PubChem CID>
57340103

>  <Formula>
C24H30N2O2

>  <Molecular Weight>
378.516000

>  <IUPAC Name>
N-[2-(2-benzyl-5-methoxy-1H-indol-3-yl)ethyl]hexanamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)CC3=CC=CC=C3

>  <Isomeric SMILES>
CCCCCC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C24H30N2O2/c1-3-4-6-11-24(27)25-15-14-20-21-17-19(28-2)12-13-22(21)26-23(20)16-18-9-7-5-8-10-18/h5,7-10,12-13,17,26H,3-4,6,11,14-16H2,1-2H3,(H,25,27)

>  <InChI Key>
RTLYQQVPQJMWGU-UHFFFAOYSA-N

