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847361-88-0 | 12-Octadecenamide, 9-oxo-N-(phenylmethyl)-, (12Z)-
CAS No: 847361-88-0 Catalog No: AG004YDX MDL No:
Product Description
Catalog Number:
AG004YDX
Chemical Name:
12-Octadecenamide, 9-oxo-N-(phenylmethyl)-, (12Z)-
CAS Number:
847361-88-0
Molecular Formula:
C25H39NO2
Molecular Weight:
385.5827
IUPAC Name:
N-benzyl-9-oxooctadec-12-enamide
InChI:
InChI=1S/C25H39NO2/c1-2-3-4-5-6-8-14-19-24(27)20-15-9-7-10-16-21-25(28)26-22-23-17-12-11-13-18-23/h6,8,11-13,17-18H,2-5,7,9-10,14-16,19-22H2,1H3,(H,26,28)
InChI Key:
NAPLCBOQGUNIRA-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\CCC(=O)CCCCCCCC(=O)NCc1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.298g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.592g/mol
Monoisotopic Mass:
385.298g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.3
Literature
| Title | Journal |
|---|---|
| New alkamides from maca (Lepidium meyenii). | Journal of agricultural and food chemistry 20050209 |
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