
 CHEMBL3645505

 34 33  0  0  0  0  0  0  0  0999 V2000
    6.1817    0.8818   -3.8006 C   0  0  0  0  0
    4.6864    1.1733   -3.9206 C   0  0  0  0  0
    4.1204    0.3860   -5.1100 C   0  0  0  0  0
    3.8870    0.8125   -2.6487 C   0  0  0  0  0
    4.1396    1.6481   -1.3852 C   0  0  0  0  0
    5.4919    1.3954   -0.7098 C   0  0  0  0  0
    6.4154    2.2136   -0.7514 O   0  0  0  0  0
    5.6318    0.1188    0.0812 C   0  0  0  0  0
    3.9689    3.0722   -1.6163 N   0  0  0  0  0
    2.8171    3.7486   -1.2923 C   0  0  0  0  0
    1.8095    3.1965   -0.8603 O   0  0  0  0  0
    2.9164    5.2702   -1.4474 C   0  0  0  0  0
    3.5808    5.6158   -2.7191 N   0  0  0  0  0
    3.6800    7.0652   -2.8519 C   0  0  0  0  0
    6.6782    1.6162   -3.1629 H   0  0  0  0  0
    6.6730    0.9373   -4.7779 H   0  0  0  0  0
    6.3639   -0.1171   -3.3905 H   0  0  0  0  0
    4.5571    2.2395   -4.1429 H   0  0  0  0  0
    4.2187   -0.6936   -4.9537 H   0  0  0  0  0
    4.6465    0.6435   -6.0351 H   0  0  0  0  0
    3.0597    0.6130   -5.2590 H   0  0  0  0  0
    4.0429   -0.2496   -2.4211 H   0  0  0  0  0
    2.8192    0.9137   -2.8900 H   0  0  0  0  0
    3.3899    1.3499   -0.6408 H   0  0  0  0  0
    5.2065   -0.7211   -0.4695 H   0  0  0  0  0
    5.1191    0.2327    1.0399 H   0  0  0  0  0
    6.6906   -0.0885    0.2571 H   0  0  0  0  0
    4.7690    3.6238   -1.9215 H   0  0  0  0  0
    3.4888    5.6507   -0.5932 H   0  0  0  0  0
    1.9034    5.6830   -1.4166 H   0  0  0  0  0
    3.0087    5.2522   -3.4837 H   0  0  0  0  0
    4.3234    7.4872   -2.0742 H   0  0  0  0  0
    2.6952    7.5441   -2.8016 H   0  0  0  0  0
    4.1245    7.3138   -3.8202 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  9  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3645505

>  <PubChem CID>
88978455

>  <Formula>
C10H20N2O2

>  <Molecular Weight>
200.282000

>  <IUPAC Name>
2-(methylamino)-N-[(3R)-5-methyl-2-oxohexan-3-yl]acetamide

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)CC(C(=O)C)NC(=O)CNC

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

>  <InChI Std. ID>
InChI=1S/C10H20N2O2/c1-7(2)5-9(8(3)13)12-10(14)6-11-4/h7,9,11H,5-6H2,1-4H3,(H,12,14)/t9-/m1/s1

>  <InChI Key>
CJLHIHMQNZZPSH-SECBINFHSA-N

