
 CHEMBL1223277

 33 33  0  0  0  0  0  0  0  0999 V2000
    3.0809    3.0897   -0.1495 C   0  0  0  0  0
    2.2724    2.1127   -1.0008 C   0  0  0  0  0
    1.8331    0.8789   -0.1850 C   0  0  0  0  0
    0.9226    1.2345    0.8640 O   0  0  0  0  0
   -0.4168    1.0027    0.7047 C   0  0  0  0  0
   -1.0341    0.4271   -0.4064 C   0  0  0  0  0
   -2.4233    0.2882   -0.4483 C   0  0  0  0  0
   -3.2018    0.7125    0.6247 C   0  0  0  0  0
   -2.5961    1.2589    1.7552 C   0  0  0  0  0
   -1.2077    1.4141    1.7860 C   0  0  0  0  0
   -3.4585    1.6431    2.7456 O   0  0  0  0  0
   -2.9295    1.6009    4.0664 C   0  0  0  0  0
    1.1459    2.8190   -1.6061 N   0  0  0  0  0
    0.5302    2.3594   -2.7469 C   0  0  0  0  0
    0.9245    1.3920   -3.3890 O   0  0  0  0  0
   -0.6669    3.1733   -3.1503 C   0  0  0  0  0
    3.4152    3.9410   -0.7551 H   0  0  0  0  0
    3.9690    2.6035    0.2636 H   0  0  0  0  0
    2.4881    3.4891    0.6791 H   0  0  0  0  0
    2.9178    1.7598   -1.8162 H   0  0  0  0  0
    2.7167    0.4583    0.3107 H   0  0  0  0  0
    1.4664    0.0754   -0.8290 H   0  0  0  0  0
   -0.4803    0.0812   -1.2712 H   0  0  0  0  0
   -2.8979   -0.1534   -1.3227 H   0  0  0  0  0
   -4.2826    0.6042    0.5878 H   0  0  0  0  0
   -0.7155    1.8719    2.6383 H   0  0  0  0  0
   -3.7640    1.7348    4.7626 H   0  0  0  0  0
   -2.2240    2.4191    4.2348 H   0  0  0  0  0
   -2.4696    0.6316    4.2799 H   0  0  0  0  0
    0.6057    3.4230   -0.9971 H   0  0  0  0  0
   -0.3337    4.1181   -3.5891 H   0  0  0  0  0
   -1.3046    3.3743   -2.2840 H   0  0  0  0  0
   -1.2548    2.6202   -3.8887 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>
CHEMBL1223277

>  <PubChem CID>
49865374

>  <Formula>
C12H17NO3

>  <Molecular Weight>
223.272000

>  <IUPAC Name>
N-[(2R)-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-/m1/s1

>  <InChI Key>
BRRIQEQFTZEKLI-SECBINFHSA-N

