
 CHEMBL228526

 53 54  0  0  0  0  0  0  0  0999 V2000
    0.5328    0.1799    0.9468 C   0  0  0  0  0
    2.0213    0.1967    0.7679 C   0  0  0  0  0
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    3.9732    0.2415   -0.6784 C   0  0  0  0  0
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    4.2568    0.1152    1.7089 C   0  0  0  0  0
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    6.3405    0.2158    0.2131 C   0  0  0  0  0
    7.0880    1.0074    1.3107 C   0  0  0  0  0
    8.5728    1.2444    1.0030 C   0  0  0  0  0
    9.2541    2.0080    2.0709 N   0  0  0  0  0
   10.7054    1.9545    1.8658 C   0  0  0  0  0
    8.8187    3.4062    2.1086 C   0  0  0  0  0
    6.8008   -1.1618    0.1134 N   0  0  0  0  0
    7.8169   -1.5443   -0.7293 C   0  0  0  0  0
    8.4313   -0.7601   -1.4496 O   0  0  0  0  0
    8.1332   -3.0288   -0.6953 C   0  0  0  0  0
    7.4348   -3.7978   -1.7874 C   0  0  0  0  0
    6.3964   -4.6862   -1.4879 C   0  0  0  0  0
    5.7638   -5.3989   -2.5092 C   0  0  0  0  0
    6.1621   -5.2458   -3.8384 C   0  0  0  0  0
    7.1835   -4.3482   -4.1455 C   0  0  0  0  0
    7.8161   -3.6297   -3.1255 C   0  0  0  0  0
    5.4699   -6.0075   -4.7395 O   0  0  0  0  0
    6.0634   -6.1568   -6.0237 C   0  0  0  0  0
    0.0433    0.8015    0.1898 H   0  0  0  0  0
    0.2517    0.5821    1.9262 H   0  0  0  0  0
    0.1561   -0.8442    0.8665 H   0  0  0  0  0
    1.9440    0.2686   -1.3915 H   0  0  0  0  0
    4.3822    0.2742   -1.6871 H   0  0  0  0  0
    4.8774    0.0500    2.5989 H   0  0  0  0  0
    2.4560    0.0560    2.8796 H   0  0  0  0  0
    6.5402    0.7170   -0.7447 H   0  0  0  0  0
    7.0182    0.4849    2.2727 H   0  0  0  0  0
    6.5808    1.9722    1.4284 H   0  0  0  0  0
    8.6918    1.7382    0.0308 H   0  0  0  0  0
    9.0579    0.2636    0.9342 H   0  0  0  0  0
   11.0618    0.9187    1.8953 H   0  0  0  0  0
   11.2274    2.4838    2.6710 H   0  0  0  0  0
   11.0045    2.3976    0.9090 H   0  0  0  0  0
    7.7679    3.4879    2.4023 H   0  0  0  0  0
    8.9522    3.9076    1.1433 H   0  0  0  0  0
    9.3825    3.9645    2.8649 H   0  0  0  0  0
    6.2596   -1.8699    0.5902 H   0  0  0  0  0
    7.8755   -3.4357    0.2904 H   0  0  0  0  0
    9.2187   -3.1531   -0.7909 H   0  0  0  0  0
    6.0718   -4.8389   -0.4615 H   0  0  0  0  0
    4.9597   -6.0892   -2.2666 H   0  0  0  0  0
    7.5052   -4.1741   -5.1664 H   0  0  0  0  0
    8.6089   -2.9284   -3.3838 H   0  0  0  0  0
    5.4701   -6.8871   -6.5823 H   0  0  0  0  0
    7.0843   -6.5466   -5.9456 H   0  0  0  0  0
    6.0414   -5.2151   -6.5811 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
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 11 13  1  0  0  0
 11 12  1  0  0  0
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 14 15  1  0  0  0
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 15 17  1  0  0  0
 15 16  2  0  0  0
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 17 46  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
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 21 22  1  0  0  0
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 22 23  2  0  0  0
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 25 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL228526

>  <PubChem CID>
15983566

>  <Formula>
C21H28N2O2

>  <Molecular Weight>
340.467000

>  <IUPAC Name>
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=C(C=C1)C(CCN(C)C)NC(=O)CC2=CC=C(C=C2)OC

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C(CCN(C)C)NC(=O)CC2=CC=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C21H28N2O2/c1-16-5-9-18(10-6-16)20(13-14-23(2)3)22-21(24)15-17-7-11-19(25-4)12-8-17/h5-12,20H,13-15H2,1-4H3,(H,22,24)

>  <InChI Key>
ARWGASRCMDRTJX-UHFFFAOYSA-N

