
 CHEMBL224438

 56 58  0  0  0  0  0  0  0  0999 V2000
   -1.3427   -1.2115    0.0775 C   0  0  0  0  0
   -1.1428    0.2656    0.3936 C   0  0  0  0  0
    0.0267    0.7037   -0.4930 C   0  0  0  0  0
    0.8485   -0.5179   -0.4673 N   0  0  0  0  0
   -0.0731   -1.6430   -0.6449 C   0  0  0  0  0
    1.9830   -0.5777   -1.3917 C   0  0  0  0  0
    3.0521    0.4839   -1.0874 C   0  0  0  0  0
    4.2560    0.3354   -1.9870 C   0  0  0  0  0
    4.3046    0.9892   -3.2253 C   0  0  0  0  0
    5.4100    0.8343   -4.0627 C   0  0  0  0  0
    6.4736    0.0216   -3.6735 C   0  0  0  0  0
    6.4315   -0.6380   -2.4469 C   0  0  0  0  0
    5.3276   -0.4846   -1.6073 C   0  0  0  0  0
   -0.4553    1.1966   -1.8798 C   0  0  0  0  0
   -1.2526    2.4075   -1.7823 N   0  0  0  0  0
   -2.1921    2.7357   -2.7367 C   0  0  0  0  0
   -2.4521    2.0328   -3.7045 O   0  0  0  0  0
   -2.8687    4.0615   -2.4479 C   0  0  0  0  0
   -4.0028    4.3737   -3.4248 C   0  0  0  0  0
   -4.6348    5.7495   -3.1880 C   0  0  0  0  0
   -5.3372    5.8637   -1.8569 C   0  0  0  0  0
   -4.6738    6.4009   -0.7449 C   0  0  0  0  0
   -5.3055    6.4586    0.4978 C   0  0  0  0  0
   -6.6106    5.9920    0.6390 C   0  0  0  0  0
   -7.2843    5.4681   -0.4626 C   0  0  0  0  0
   -6.6503    5.3997   -1.7044 C   0  0  0  0  0
   -1.5005   -1.7823    0.9986 H   0  0  0  0  0
   -2.2175   -1.3572   -0.5653 H   0  0  0  0  0
   -0.8659    0.3718    1.4506 H   0  0  0  0  0
   -2.0604    0.8411    0.2396 H   0  0  0  0  0
    0.5575    1.5243    0.0054 H   0  0  0  0  0
   -0.2946   -1.8280   -1.7033 H   0  0  0  0  0
    0.3338   -2.5644   -0.2154 H   0  0  0  0  0
    1.6536   -0.4999   -2.4356 H   0  0  0  0  0
    2.4522   -1.5663   -1.2961 H   0  0  0  0  0
    3.3724    0.4077   -0.0402 H   0  0  0  0  0
    2.6446    1.4953   -1.2058 H   0  0  0  0  0
    3.4813    1.6233   -3.5463 H   0  0  0  0  0
    5.4415    1.3465   -5.0208 H   0  0  0  0  0
    7.3337   -0.0988   -4.3267 H   0  0  0  0  0
    7.2595   -1.2748   -2.1438 H   0  0  0  0  0
    5.3072   -1.0086   -0.6551 H   0  0  0  0  0
   -1.0356    0.4253   -2.3981 H   0  0  0  0  0
    0.3990    1.4499   -2.5164 H   0  0  0  0  0
   -0.9613    3.1252   -1.1307 H   0  0  0  0  0
   -2.1070    4.8487   -2.4958 H   0  0  0  0  0
   -3.2534    4.0136   -1.4234 H   0  0  0  0  0
   -4.7681    3.5889   -3.3632 H   0  0  0  0  0
   -3.6130    4.3453   -4.4506 H   0  0  0  0  0
   -5.3593    5.9541   -3.9864 H   0  0  0  0  0
   -3.8720    6.5332   -3.2744 H   0  0  0  0  0
   -3.6528    6.7659   -0.8375 H   0  0  0  0  0
   -4.7784    6.8653    1.3573 H   0  0  0  0  0
   -7.1026    6.0368    1.6062 H   0  0  0  0  0
   -8.3045    5.1072   -0.3543 H   0  0  0  0  0
   -7.1859    4.9788   -2.5526 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  2  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  2  0  0  0
 12 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 19 49  1  0  0  0
 20 21  1  0  0  0
 20 50  1  0  0  0
 20 51  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 23 24  2  0  0  0
 23 53  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 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL224438

>  <PubChem CID>
11385742

>  <Formula>
C23H30N2O

>  <Molecular Weight>
350.506000

>  <IUPAC Name>
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC(N(C1)CCC2=CC=CC=C2)CNC(=O)CCCC3=CC=CC=C3

>  <Isomeric SMILES>
C1C[C@@H](N(C1)CCC2=CC=CC=C2)CNC(=O)CCCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H30N2O/c26-23(15-7-13-20-9-3-1-4-10-20)24-19-22-14-8-17-25(22)18-16-21-11-5-2-6-12-21/h1-6,9-12,22H,7-8,13-19H2,(H,24,26)/t22-/m1/s1

>  <InChI Key>
HFTIKXYSNDRVRI-JOCHJYFZSA-N

