4896559
  -OEChem-05112421342D

 32 33  0     1  0  0  0  0  0999 V2000
    2.0000   -0.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5698   -1.2267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3651    0.2716    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6239    1.2376    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7640   -0.2372    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8873    2.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9924   -0.3204    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0228    0.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640   -1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640   -1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736   -1.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510   -2.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3832   -0.3481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6099    0.6177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656   -0.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2051    2.7525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2742    2.3121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4244   -0.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6168    0.5510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2178    1.3173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561    1.2081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0646    0.4161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6814   -1.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3717   -1.7138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9254   -1.7346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640   -1.7232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8840   -1.1032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640   -0.4832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5890   -1.9581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8889   -2.7821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7129   -2.4822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2 26  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  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
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  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
M  END
> <PUBCHEM_COMPOUND_CID>
4896559

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
214

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByIAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAHgAQAAAADSjBgAQCAALAAAAIAAEQEAAAAAAAAAAAAIAIAAAAAAIAgAAEAAAAFgCAAAEQgMAOgAAAAAAAAAAAAASAACQAASAACQAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(6-ethylnorbornan-2-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(6-ethyl-2-bicyclo[2.2.1]heptanyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(6-ethylnorbornan-2-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H19NO/c1-3-9-4-8-5-10(9)11(6-8)12-7(2)13/h8-11H,3-6H2,1-2H3,(H,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
DUPBBXMGYXAPCU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
181.146664230

> <PUBCHEM_MOLECULAR_FORMULA>
C11H19NO

> <PUBCHEM_MOLECULAR_WEIGHT>
181.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1CC2CC1C(C2)NC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1CC2CC1C(C2)NC(=O)C

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
181.146664230

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
7  2  3
3  6  3
4  8  3
5  10  3

$$$$