
 CHEMBL228472

 49 50  0  0  0  0  0  0  0  0999 V2000
    0.6083   -1.4085    1.2537 C   0  0  0  0  0
    2.0259   -1.0289    0.9468 C   0  0  0  0  0
    3.0103   -2.0179    0.8556 C   0  0  0  0  0
    4.3292   -1.6811    0.5395 C   0  0  0  0  0
    4.6934   -0.3479    0.2981 C   0  0  0  0  0
    3.6999    0.6391    0.3966 C   0  0  0  0  0
    2.3807    0.3026    0.7131 C   0  0  0  0  0
    6.1178    0.0601   -0.0468 C   0  0  0  0  0
    6.9262    0.5007    1.1903 C   0  0  0  0  0
    7.1732   -0.5789    2.2607 C   0  0  0  0  0
    7.9018   -1.7830    1.7985 N   0  0  0  0  0
    9.3012   -1.4741    1.4744 C   0  0  0  0  0
    7.8727   -2.7977    2.8624 C   0  0  0  0  0
    6.8326   -0.9643   -0.7853 N   0  0  0  0  0
    6.7900   -1.0817   -2.1542 C   0  0  0  0  0
    6.2187   -0.2820   -2.8921 O   0  0  0  0  0
    7.5576   -2.2755   -2.6884 C   0  0  0  0  0
    6.7025   -3.5073   -2.8403 C   0  0  0  0  0
    6.0002   -3.7366   -4.0313 C   0  0  0  0  0
    5.2128   -4.8790   -4.1797 C   0  0  0  0  0
    5.1104   -5.7960   -3.1357 C   0  0  0  0  0
    5.7912   -5.5694   -1.9407 C   0  0  0  0  0
    6.5834   -4.4298   -1.7917 C   0  0  0  0  0
    0.1846   -1.9798    0.4216 H   0  0  0  0  0
   -0.0181   -0.5248    1.4139 H   0  0  0  0  0
    0.5661   -2.0143    2.1647 H   0  0  0  0  0
    2.7549   -3.0622    1.0200 H   0  0  0  0  0
    5.0667   -2.4769    0.4751 H   0  0  0  0  0
    3.9451    1.6826    0.2089 H   0  0  0  0  0
    1.6319    1.0895    0.7646 H   0  0  0  0  0
    6.0512    0.9295   -0.7149 H   0  0  0  0  0
    6.4037    1.3353    1.6765 H   0  0  0  0  0
    7.8900    0.9072    0.8588 H   0  0  0  0  0
    6.1973   -0.8800    2.6615 H   0  0  0  0  0
    7.7111   -0.1168    3.0999 H   0  0  0  0  0
    9.3696   -0.7863    0.6265 H   0  0  0  0  0
    9.8282   -2.3847    1.1671 H   0  0  0  0  0
    9.8380   -1.0349    2.3225 H   0  0  0  0  0
    6.8409   -3.0735    3.1056 H   0  0  0  0  0
    8.3620   -2.4485    3.7792 H   0  0  0  0  0
    8.3718   -3.7151    2.5324 H   0  0  0  0  0
    7.2114   -1.7209   -0.2220 H   0  0  0  0  0
    8.4131   -2.4895   -2.0354 H   0  0  0  0  0
    7.9946   -1.9952   -3.6548 H   0  0  0  0  0
    6.0613   -3.0222   -4.8504 H   0  0  0  0  0
    4.6765   -5.0499   -5.1092 H   0  0  0  0  0
    4.4956   -6.6845   -3.2524 H   0  0  0  0  0
    5.7047   -6.2817   -1.1246 H   0  0  0  0  0
    7.1077   -4.2697   -0.8528 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  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL228472

>  <PubChem CID>
15983562

>  <Formula>
C20H26N2O

>  <Molecular Weight>
310.441000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C20H26N2O/c1-16-9-11-18(12-10-16)19(13-14-22(2)3)21-20(23)15-17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3,(H,21,23)

>  <InChI Key>
BKGFNCFZXJSIHU-UHFFFAOYSA-N

