Basic information
- CAS
96724-04-8- Standard SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1- InChIKey
QLXBKYBHBQBEFT-ZDVGBALWSA-N- Molecular formula
- C26H41NO3
- Average molar mass
- 415.6 g/mol
- Monoisotopic mass
- 415.30864417
Names & identifiers
- Preferred name
- 9,12-Octadecadienamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-, (E,E)-
- IUPAC
- (9E,12E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12-dienamide
Names & synonyms
9,12-Octadecadienamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-, (E,E)-96724-04-8DTXSID80242466N-((4-Hydroxy-3-methoxyphenyl)methyl)-9,12-octadecadienamide (E,E)-RefChem:312630DTXCID80164957Livanil(9E,12E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12-dienamideSCHEMBL10546382QLXBKYBHBQBEFT-ZDVGBALWSA-Nn-vanillyl-9e,12e-octadecadienamideN-vanillyl-(E,E)-9,12-octadecadienamide
Database identifiers
- CAS
96724-04-8- PubChem CID
- 6507149
- DTXSID
DTXSID80242466- Nikkaji
- J1.202.923C、J572.123G
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 475
Related reactions
1 records
Compound notes
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