
 CHEMBL1223278

 33 33  0  0  0  0  0  0  0  0999 V2000
    1.0203    2.1425   -1.1994 C   0  0  0  0  0
    1.9345    1.0955   -0.5665 C   0  0  0  0  0
    1.1605    0.1439    0.3688 C   0  0  0  0  0
    0.0183   -0.4231   -0.2812 O   0  0  0  0  0
    0.0735   -1.6885   -0.7914 C   0  0  0  0  0
    1.1536   -2.5664   -0.7261 C   0  0  0  0  0
    1.0643   -3.8307   -1.3141 C   0  0  0  0  0
   -0.1046   -4.2203   -1.9663 C   0  0  0  0  0
   -1.2000   -3.3603   -2.0194 C   0  0  0  0  0
   -1.1027   -2.0944   -1.4393 C   0  0  0  0  0
   -2.2879   -3.8490   -2.6891 O   0  0  0  0  0
   -3.5414   -3.2641   -2.3539 C   0  0  0  0  0
    2.6552    0.3840   -1.6188 N   0  0  0  0  0
    3.8897   -0.1775   -1.3938 C   0  0  0  0  0
    4.4834   -0.1000   -0.3233 O   0  0  0  0  0
    4.4687   -0.9009   -2.5796 C   0  0  0  0  0
    1.6052    2.8491   -1.8001 H   0  0  0  0  0
    0.4879    2.7129   -0.4311 H   0  0  0  0  0
    0.2801    1.6858   -1.8660 H   0  0  0  0  0
    2.6818    1.6190    0.0426 H   0  0  0  0  0
    0.7595    0.7396    1.1983 H   0  0  0  0  0
    1.8106   -0.5991    0.8390 H   0  0  0  0  0
    2.0825   -2.3115   -0.2286 H   0  0  0  0  0
    1.9070   -4.5160   -1.2601 H   0  0  0  0  0
   -0.1686   -5.2050   -2.4226 H   0  0  0  0  0
   -1.9264   -1.3896   -1.4870 H   0  0  0  0  0
   -4.3222   -3.8373   -2.8634 H   0  0  0  0  0
   -3.6068   -2.2316   -2.7099 H   0  0  0  0  0
   -3.7299   -3.3250   -1.2762 H   0  0  0  0  0
    2.1122    0.0500   -2.4066 H   0  0  0  0  0
    3.8216   -0.8259   -3.4581 H   0  0  0  0  0
    4.5984   -1.9565   -2.3269 H   0  0  0  0  0
    5.4376   -0.4577   -2.8271 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1223278

>  <PubChem CID>
49865375

>  <Formula>
C12H17NO3

>  <Molecular Weight>
223.272000

>  <IUPAC Name>
N-[(2S)-1-(3-methoxyphenoxy)propan-2-yl]acetamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(COC1=CC=CC(=C1)OC)NC(=O)C

>  <Isomeric SMILES>
C[C@@H](COC1=CC=CC(=C1)OC)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C12H17NO3/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1

>  <InChI Key>
BRRIQEQFTZEKLI-VIFPVBQESA-N

