
 CHEMBL3633715

 46 47  0  0  0  0  0  0  0  0999 V2000
    4.8270    0.3182    4.0349 C   0  0  0  0  0
    3.6608    1.2346    3.6557 C   0  0  0  0  0
    3.0514    2.0077    4.8133 C   0  0  0  0  0
    3.7934    2.4369    5.9238 C   0  0  0  0  0
    3.1835    3.1610    6.9528 C   0  0  0  0  0
    1.8290    3.4790    6.8810 C   0  0  0  0  0
    1.0816    3.0785    5.7778 C   0  0  0  0  0
    1.6887    2.3526    4.7509 C   0  0  0  0  0
    4.0593    2.1673    2.6187 N   0  0  0  0  0
    3.9693    1.8665    1.2804 C   0  0  0  0  0
    3.5870    0.7748    0.8600 O   0  0  0  0  0
    4.4772    2.9647    0.3231 C   0  0  0  0  0
    4.0381    4.3764    0.7036 C   0  0  0  0  0
    5.9119    2.8326    0.0831 N   0  0  0  0  0
    6.8571    3.0894    1.0501 C   0  0  0  0  0
    6.5786    3.4451    2.1894 O   0  0  0  0  0
    8.2721    2.8496    0.6614 C   0  0  0  0  0
    9.1788    2.4585    1.6580 C   0  0  0  0  0
   10.5147    2.2248    1.3364 C   0  0  0  0  0
   10.9408    2.3689    0.0139 C   0  0  0  0  0
   10.0508    2.7801   -0.9796 C   0  0  0  0  0
    8.7151    3.0256   -0.6574 C   0  0  0  0  0
   11.4843    1.8280    2.2171 O   0  0  0  0  0
   11.2364    2.1183    3.5881 C   0  0  0  0  0
    5.1363   -0.2871    3.1755 H   0  0  0  0  0
    4.5451   -0.3641    4.8441 H   0  0  0  0  0
    5.7070    0.8866    4.3553 H   0  0  0  0  0
    2.8780    0.5811    3.2471 H   0  0  0  0  0
    4.8548    2.2199    6.0047 H   0  0  0  0  0
    3.7697    3.4814    7.8104 H   0  0  0  0  0
    1.3586    4.0442    7.6813 H   0  0  0  0  0
    0.0271    3.3326    5.7125 H   0  0  0  0  0
    1.0916    2.0558    3.8907 H   0  0  0  0  0
    4.7242    2.8965    2.8767 H   0  0  0  0  0
    4.0049    2.7471   -0.6437 H   0  0  0  0  0
    4.5118    4.7397    1.6201 H   0  0  0  0  0
    2.9549    4.4127    0.8611 H   0  0  0  0  0
    4.2916    5.0837   -0.0936 H   0  0  0  0  0
    6.1820    2.2769   -0.7167 H   0  0  0  0  0
    8.8087    2.3276    2.6700 H   0  0  0  0  0
   11.9809    2.1762   -0.2390 H   0  0  0  0  0
   10.4037    2.9158   -1.9985 H   0  0  0  0  0
    8.0429    3.3769   -1.4355 H   0  0  0  0  0
   12.1479    1.8875    4.1479 H   0  0  0  0  0
   10.4345    1.4895    3.9874 H   0  0  0  0  0
   11.0147    3.1814    3.7334 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633715

>  <PubChem CID>
122195500

>  <Formula>
C19H22N2O3

>  <Molecular Weight>
326.396000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C19H22N2O3/c1-13(15-8-5-4-6-9-15)20-18(22)14(2)21-19(23)16-10-7-11-17(12-16)24-3/h4-14H,1-3H3,(H,20,22)(H,21,23)/t13-,14+/m0/s1

>  <InChI Key>
AQVIMQFROIMLTH-UONOGXRCSA-N

