
 CHEMBL3633881

 43 44  0  0  0  0  0  0  0  0999 V2000
    4.6768    0.2084   -6.4277 C   0  0  0  0  0
    5.1308   -0.5965   -5.2059 C   0  0  0  0  0
    6.0365   -1.7495   -5.5955 C   0  0  0  0  0
    5.6656   -3.0629   -5.2637 C   0  0  0  0  0
    6.4642   -4.1466   -5.6333 C   0  0  0  0  0
    7.6484   -3.9325   -6.3338 C   0  0  0  0  0
    8.0374   -2.6351   -6.6603 C   0  0  0  0  0
    7.2387   -1.5495   -6.2929 C   0  0  0  0  0
    5.7726    0.2664   -4.2281 N   0  0  0  0  0
    5.0443    0.9705   -3.2955 C   0  0  0  0  0
    3.8348    0.8244   -3.1305 O   0  0  0  0  0
    5.8698    1.8899   -2.3997 C   0  0  0  0  0
    6.2781    1.1793   -1.2027 N   0  0  0  0  0
    7.5973    0.8625   -0.9685 C   0  0  0  0  0
    8.4918    1.1901   -1.7433 O   0  0  0  0  0
    7.9302    0.1048    0.2782 C   0  0  0  0  0
    6.9673   -0.4942    1.1001 C   0  0  0  0  0
    7.3504   -1.2230    2.2336 C   0  0  0  0  0
    8.7003   -1.3335    2.5650 C   0  0  0  0  0
    9.6670   -0.7328    1.7592 C   0  0  0  0  0
    9.2841   -0.0208    0.6191 C   0  0  0  0  0
    6.3114   -1.7619    2.9442 O   0  0  0  0  0
    6.6393   -2.8267    3.8302 C   0  0  0  0  0
    3.9639    0.9877   -6.1371 H   0  0  0  0  0
    4.1874   -0.4389   -7.1641 H   0  0  0  0  0
    5.5159    0.7084   -6.9244 H   0  0  0  0  0
    4.2243   -1.0051   -4.7414 H   0  0  0  0  0
    4.7431   -3.2520   -4.7180 H   0  0  0  0  0
    6.1593   -5.1575   -5.3755 H   0  0  0  0  0
    8.2684   -4.7766   -6.6239 H   0  0  0  0  0
    8.9632   -2.4682   -7.2049 H   0  0  0  0  0
    7.5614   -0.5467   -6.5625 H   0  0  0  0  0
    6.7836    0.3425   -4.2229 H   0  0  0  0  0
    5.2411    2.7317   -2.0931 H   0  0  0  0  0
    6.7269    2.2879   -2.9509 H   0  0  0  0  0
    5.5381    0.8639   -0.5934 H   0  0  0  0  0
    5.9083   -0.4390    0.8766 H   0  0  0  0  0
    9.0312   -1.8718    3.4474 H   0  0  0  0  0
   10.7197   -0.8167    2.0143 H   0  0  0  0  0
   10.0513    0.4376   -0.0015 H   0  0  0  0  0
    5.7026   -3.2334    4.2235 H   0  0  0  0  0
    7.2274   -2.4683    4.6810 H   0  0  0  0  0
    7.1587   -3.6337    3.3026 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  9  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
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 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633881

>  <PubChem CID>
28918445

>  <Formula>
C18H20N2O3

>  <Molecular Weight>
312.369000

>  <IUPAC Name>
3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)OC

>  <Isomeric SMILES>
C[C@@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)OC

>  <InChI Std. ID>
InChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)20-17(21)12-19-18(22)15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1

>  <InChI Key>
ASAANGCWEOJNQY-ZDUSSCGKSA-N

