70584023
  -OEChem-04232414262D

 79 79  0     0  0  0  0  0  0999 V2000
   14.9904    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1181   -2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4675    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1541   -3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -5.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26 73  1  0  0  0  0
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 30 79  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70584023

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
378

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
19

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6IAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADQiBmAAywILAAACIAiVSUACCAAAhAgAIiAAAZIgIICLAkZGEIAhglADIyAcQgMAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(4-octyldodecyl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(4-octyldodecyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(4-octyldodecyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(4-octyldodecyl)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(4-octyldodecyl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(4-octyldodecyl)phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H49NO/c1-4-6-8-10-12-14-19-26(20-15-13-11-9-7-5-2)21-18-23-27-22-16-17-24-28(27)29-25(3)30/h16-17,22,24,26H,4-15,18-21,23H2,1-3H3,(H,29,30)

> <PUBCHEM_IUPAC_INCHIKEY>
LCSPQMHKNFLURL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
10.8

> <PUBCHEM_EXACT_MASS>
415.381415187

> <PUBCHEM_MOLECULAR_FORMULA>
C28H49NO

> <PUBCHEM_MOLECULAR_WEIGHT>
415.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC(CCCCCCCC)CCCC1=CC=CC=C1NC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCC(CCCCCCCC)CCCC1=CC=CC=C1NC(=O)C

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
415.381415187

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
17  22  8
17  23  8
22  24  8
23  27  8
24  28  8
27  28  8

$$$$