
 CHEMBL85729

 44 45  0  0  0  0  0  0  0  0999 V2000
    0.0473   -0.1205    1.2216 C   0  0  0  0  0
    0.8773    1.0501    1.7088 C   0  0  0  0  0
    2.3647    0.8041    1.6626 C   0  0  0  0  0
    2.9584    0.4379    0.5693 N   0  0  0  0  0
    4.3061    0.2568    0.6003 N   0  0  0  0  0
    5.0226   -0.1950   -0.4830 C   0  0  0  0  0
    6.2252   -0.4324   -0.3572 O   0  0  0  0  0
    4.2816   -0.3240   -1.8108 C   0  0  0  0  0
    4.1478    1.0535   -2.4546 C   0  0  0  0  0
    5.0112   -1.2850   -2.7464 C   0  0  0  0  0
    2.9913    1.1077    2.9787 C   0  0  0  0  0
    1.7775    0.9443    3.8951 C   0  0  0  0  0
    0.6240    1.3079    3.1038 O   0  0  0  0  0
    1.8440    1.8895    5.0996 C   0  0  0  0  0
    2.9435    1.4712    6.0753 C   0  0  0  0  0
    2.8304    0.0843    6.5406 N   0  0  0  0  0
    2.6822   -0.8707    5.4377 C   0  0  0  0  0
    1.6086   -0.4949    4.4129 C   0  0  0  0  0
    1.7850   -0.0756    7.5491 C   0  0  0  0  0
    0.2037   -0.2980    0.1529 H   0  0  0  0  0
   -1.0174    0.0685    1.3937 H   0  0  0  0  0
    0.2953   -1.0441    1.7529 H   0  0  0  0  0
    0.6390    1.9587    1.1472 H   0  0  0  0  0
    4.8376    0.3515    1.4577 H   0  0  0  0  0
    3.2846   -0.7386   -1.6231 H   0  0  0  0  0
    5.1321    1.4759   -2.6886 H   0  0  0  0  0
    3.6412    1.7623   -1.7913 H   0  0  0  0  0
    3.5738    0.9939   -3.3847 H   0  0  0  0  0
    6.0166   -0.9274   -2.9911 H   0  0  0  0  0
    4.4568   -1.4104   -3.6820 H   0  0  0  0  0
    5.1145   -2.2719   -2.2804 H   0  0  0  0  0
    3.8225    0.4497    3.2289 H   0  0  0  0  0
    3.3420    2.1448    2.9387 H   0  0  0  0  0
    2.0139    2.9206    4.7645 H   0  0  0  0  0
    0.8707    1.9131    5.6073 H   0  0  0  0  0
    3.9210    1.5925    5.5914 H   0  0  0  0  0
    2.9599    2.1591    6.9295 H   0  0  0  0  0
    2.4778   -1.8760    5.8273 H   0  0  0  0  0
    3.6512   -0.9596    4.9324 H   0  0  0  0  0
    1.6397   -1.2127    3.5855 H   0  0  0  0  0
    0.6101   -0.6073    4.8559 H   0  0  0  0  0
    1.9720    0.5879    8.4009 H   0  0  0  0  0
    1.7931   -1.0962    7.9475 H   0  0  0  0  0
    0.7821    0.1332    7.1643 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  2 23  1  0  0  0
  3 11  1  0  0  0
  3  4  2  0  0  0
  4  5  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 10  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 14  1  0  0  0
 12 18  1  0  0  0
 12 13  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL85729

>  <PubChem CID>
44318712

>  <Formula>
C14H25N3O2

>  <Molecular Weight>
267.373000

>  <IUPAC Name>
N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-2-methylpropanamide

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1C(=NNC(=O)C(C)C)CC2(O1)CCN(CC2)C

>  <Isomeric SMILES>
CC1/C(=N/NC(=O)C(C)C)/CC2(O1)CCN(CC2)C

>  <InChI Std. ID>
InChI=1S/C14H25N3O2/c1-10(2)13(18)16-15-12-9-14(19-11(12)3)5-7-17(4)8-6-14/h10-11H,5-9H2,1-4H3,(H,16,18)/b15-12+

>  <InChI Key>
BYACNXAWOKBQLX-NTCAYCPXSA-N

