
 CHEMBL131186

 52 52  0  0  0  0  0  0  0  0999 V2000
    4.4908    0.1839   -2.7350 C   0  0  0  0  0
    3.3891    1.1517   -2.3267 C   0  0  0  0  0
    3.8702    2.2614   -1.3793 C   0  0  0  0  0
    4.9198    3.1577   -1.9003 N   0  0  0  0  0
    4.5741    3.7856   -3.1930 C   0  0  0  0  0
    3.3086    4.6589   -3.2111 C   0  0  0  0  0
    3.0500    5.2358   -4.5949 C   0  0  0  0  0
    5.2847    4.1976   -0.9083 C   0  0  0  0  0
    5.9563    3.6721    0.3740 C   0  0  0  0  0
    6.2526    4.8097    1.3260 C   0  0  0  0  0
    5.2407    5.3086    2.1609 C   0  0  0  0  0
    5.4579    6.3979    3.0215 C   0  0  0  0  0
    6.7415    7.0040    3.0478 C   0  0  0  0  0
    7.7482    6.4873    2.2153 C   0  0  0  0  0
    7.5070    5.4087    1.3605 C   0  0  0  0  0
    6.9871    8.1228    3.8881 N   0  0  0  0  0
    8.1039    8.9408    3.9022 C   0  0  0  0  0
    9.0864    8.8775    3.1729 O   0  0  0  0  0
    8.0191    9.9962    4.9776 C   0  0  0  0  0
    4.4138    6.8823    3.8579 N   0  0  0  0  0
    3.0626    6.5914    3.7635 C   0  0  0  0  0
    2.5108    5.9159    2.9019 O   0  0  0  0  0
    2.2409    7.2290    4.8586 C   0  0  0  0  0
    4.0686   -0.6330   -3.3275 H   0  0  0  0  0
    4.9739   -0.2526   -1.8556 H   0  0  0  0  0
    5.2550    0.6774   -3.3404 H   0  0  0  0  0
    2.6050    0.5825   -1.8107 H   0  0  0  0  0
    2.9158    1.5726   -3.2202 H   0  0  0  0  0
    4.2492    1.7511   -0.4857 H   0  0  0  0  0
    2.9978    2.8424   -1.0532 H   0  0  0  0  0
    4.4892    3.0081   -3.9606 H   0  0  0  0  0
    5.4275    4.3926   -3.5229 H   0  0  0  0  0
    3.4046    5.4910   -2.5053 H   0  0  0  0  0
    2.4308    4.0761   -2.9113 H   0  0  0  0  0
    3.8944    5.8464   -4.9307 H   0  0  0  0  0
    2.1580    5.8714   -4.5771 H   0  0  0  0  0
    2.8849    4.4401   -5.3270 H   0  0  0  0  0
    4.4017    4.7878   -0.6372 H   0  0  0  0  0
    5.9920    4.8939   -1.3771 H   0  0  0  0  0
    6.8827    3.1368    0.1269 H   0  0  0  0  0
    5.3177    2.9533    0.9002 H   0  0  0  0  0
    4.2771    4.8082    2.1258 H   0  0  0  0  0
    8.7498    6.9042    2.2041 H   0  0  0  0  0
    8.3106    5.0496    0.7209 H   0  0  0  0  0
    6.2414    8.4143    4.4964 H   0  0  0  0  0
    7.0457   10.4955    4.9505 H   0  0  0  0  0
    8.7955   10.7491    4.8153 H   0  0  0  0  0
    8.1709    9.5307    5.9559 H   0  0  0  0  0
    4.6673    7.5448    4.5682 H   0  0  0  0  0
    1.4712    7.8598    4.4037 H   0  0  0  0  0
    2.8442    7.8504    5.5262 H   0  0  0  0  0
    1.7680    6.4405    5.4497 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 43  1  0  0  0
 15 44  1  0  0  0
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 17 19  1  0  0  0
 17 18  2  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
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 20 21  1  0  0  0
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 21 23  1  0  0  0
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 23 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL131186

>  <PubChem CID>
11723492

>  <Formula>
C18H29N3O2

>  <Molecular Weight>
319.449000

>  <IUPAC Name>
N-[2-acetamido-4-[2-(dipropylamino)ethyl]phenyl]acetamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC)CCC1=CC(=C(C=C1)NC(=O)C)NC(=O)C

>  <Isomeric SMILES>
CCCN(CCC)CCC1=CC(=C(C=C1)NC(=O)C)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C18H29N3O2/c1-5-10-21(11-6-2)12-9-16-7-8-17(19-14(3)22)18(13-16)20-15(4)23/h7-8,13H,5-6,9-12H2,1-4H3,(H,19,22)(H,20,23)

>  <InChI Key>
DQUNPIJLSIFDKT-UHFFFAOYSA-N

