9-Octadecynamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-

HCID 3024586

Notes Reactions

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Basic information

CAS: 96513-74-5
Standard SMILES: CCCCCCCCC#CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
InChIKey: BBRZZCYVWKZJJY-UHFFFAOYSA-N
Molecular formula: C26H41NO3
Average molar mass: 415.6 g/mol
Monoisotopic mass: 415.30864417

Names & identifiers

Preferred name: 9-Octadecynamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-
IUPAC: N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-ynamide

Names & synonyms

9-Octadecynamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-N-((4-Hydroxy-3-methoxyphenyl)methyl)-9-octadecynamide96513-74-5DTXSID70242298RefChem:313241DTXCID70164789CHEMBL121730N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-ynamideN-vanillyl-9-octadecynamideSCHEMBL10545511BBRZZCYVWKZJJY-UHFFFAOYSA-NBDBM50473850

Database identifiers

CAS: 96513-74-5
PubChem CID: 3024586
DTXSID: DTXSID70242298
ChEMBL: CHEMBL121730
Nikkaji: J326.068B

Properties

Computed structural properties

XLogP: 7.9
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 16
Heavy atoms: 30
Formal charge: 0
Complexity: 493

Related reactions

1 records

New reaction record

HRID 371377As productuspto-grants-1985_07

Compound notes

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