
 CHEMBL298893

 44 45  0  0  0  0  0  0  0  0999 V2000
    2.9776    0.1591    0.6763 C   0  0  0  0  0
    2.2138    0.5582   -0.5183 N   0  0  0  0  0
    0.9787   -0.2306   -0.5610 C   0  0  0  0  0
    1.9689    2.0338   -0.5224 C   0  0  0  0  0
    0.9189    2.4930   -1.5640 C   0  0  0  0  0
    0.6857    4.0035   -1.5641 C   0  0  0  0  0
    1.9598    4.8316   -1.6403 C   0  0  0  0  0
    2.9867    4.3978   -0.6048 C   0  0  0  0  0
    3.2908    2.8868   -0.6144 C   0  0  0  0  0
    4.2774    2.5298   -1.6762 N   0  0  0  0  0
    3.8019    2.2253   -3.0204 C   0  0  0  0  0
    5.6380    2.6539   -1.3470 C   0  0  0  0  0
    6.0231    3.0867   -0.2599 O   0  0  0  0  0
    6.6998    2.3020   -2.3297 C   0  0  0  0  0
    6.6770    1.1194   -3.0797 C   0  0  0  0  0
    7.6841    0.8682   -4.0146 C   0  0  0  0  0
    8.7355    1.7697   -4.1601 C   0  0  0  0  0
    8.8048    2.9174   -3.3752 C   0  0  0  0  0
    7.7860    3.1801   -2.4595 C   0  0  0  0  0
    9.6906    1.4874   -5.0891 O   0  0  0  0  0
    3.9799    0.5954    0.6829 H   0  0  0  0  0
    3.1288   -0.9263    0.6967 H   0  0  0  0  0
    2.4645    0.4440    1.6032 H   0  0  0  0  0
    1.1940   -1.3007   -0.4566 H   0  0  0  0  0
    0.4819   -0.1292   -1.5309 H   0  0  0  0  0
    0.2788    0.0532    0.2333 H   0  0  0  0  0
    1.5191    2.2852    0.4516 H   0  0  0  0  0
   -0.0516    2.0306   -1.3465 H   0  0  0  0  0
    1.1853    2.1553   -2.5696 H   0  0  0  0  0
    0.0306    4.2679   -2.4029 H   0  0  0  0  0
    0.1434    4.2742   -0.6498 H   0  0  0  0  0
    2.3872    4.7826   -2.6455 H   0  0  0  0  0
    1.7101    5.8869   -1.4773 H   0  0  0  0  0
    3.9067    4.9791   -0.7375 H   0  0  0  0  0
    2.5968    4.6615    0.3879 H   0  0  0  0  0
    3.8114    2.7183    0.3373 H   0  0  0  0  0
    3.4151    1.2036   -3.0394 H   0  0  0  0  0
    4.5822    2.3305   -3.7745 H   0  0  0  0  0
    3.0228    2.9227   -3.3182 H   0  0  0  0  0
    5.8761    0.3962   -2.9501 H   0  0  0  0  0
    7.6531   -0.0287   -4.6273 H   0  0  0  0  0
    9.6345    3.6121   -3.4622 H   0  0  0  0  0
    7.8350    4.0744   -1.8390 H   0  0  0  0  0
   10.3570    2.1948   -5.0752 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 20 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL298893

>  <PubChem CID>
44297981

>  <Formula>
C16H24N2O2

>  <Molecular Weight>
276.380000

>  <IUPAC Name>
N-[(2R)-2-(dimethylamino)cyclohexyl]-4-hydroxy-N-methylbenzamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)C1CCCCC1N(C)C(=O)C2=CC=C(C=C2)O

>  <Isomeric SMILES>
CN(C)[C@@H]1CCCCC1N(C)C(=O)C2=CC=C(C=C2)O

>  <InChI Std. ID>
InChI=1S/C16H24N2O2/c1-17(2)14-6-4-5-7-15(14)18(3)16(20)12-8-10-13(19)11-9-12/h8-11,14-15,19H,4-7H2,1-3H3/t14-,15?/m1/s1

>  <InChI Key>
AEXXPSTYDJTKJQ-GICMACPYSA-N

