4861546
  -OEChem-06191303362D

 44 45  0     1  0  0  0  0  0999 V2000
    6.0640    0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1888    1.7451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2661   -0.6350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6803   -0.6350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7543    2.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4909    2.0039    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2320    1.0380    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    0.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3228    1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8588    3.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8407    3.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    2.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9732    0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4215   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6463   -0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1286   -2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8698   -3.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5769   -3.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7294    1.4619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4523    0.6135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -0.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100   -0.4989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754    3.9163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9236    4.5977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2422    4.0459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0929    3.9597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2743    3.6455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5885    2.8269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3486    2.8094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9102    3.5687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1508    3.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596   -1.3389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0659   -2.1088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067   -0.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2451   -0.2157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4858    0.2227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6905   -2.5701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4842   -1.8002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3079   -3.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5142   -3.7818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1385   -4.4195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0153   -4.4195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0153   -3.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3 14  2  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4861546

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
418

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAaIAAAAkAAAAAAAAAAAAAAAAHgAAAAAADkTBgAQCCAMABAAIAAGQGAIAAAAAAAAAAAFIAAACABIAgAQHAAAEBgCQAAGa33LPgAAAAAAAAAAAAAAAAAAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-butyl-N,1,7,7-tetramethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-butyl-N,1,7,7-tetramethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-butyl-N,1,7,7-tetramethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-butyl-N,1,7,7-tetramethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-butyl-2-keto-N,1,7,7-tetramethyl-3-oxabicyclo[2.2.1]heptane-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H25NO3/c1-6-7-10-16(5)11(17)15-9-8-14(4,12(18)19-15)13(15,2)3/h6-10H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
IBLMHYHZTCUFTD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
267.183444

> <PUBCHEM_MOLECULAR_FORMULA>
C15H25NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
267.3639

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCN(C)C(=O)C12CCC(C1(C)C)(C(=O)O2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCN(C)C(=O)C12CCC(C1(C)C)(C(=O)O2)C

> <PUBCHEM_CACTVS_TPSA>
46.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
267.183444

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
6  13  3
7  14  3

$$$$