N-(4-hydroxyphenyl)dodecanamide

• ChemBase ID: 107091
• Molecular Formular: C18H29NO2
• Molecular Mass: 291.42836
• Monoisotopic Mass: 291.21982917
• SMILES: CCCCCCCCCCCC(=O)Nc1ccc(O)cc1
• Canonical SMILES: CCCCCCCCCCCC(=O)Nc1ccc(cc1)O
• InChI: InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-18(21)19-16-12-14-17(20)15-13-16/h12-15,20H,2-11H2,1H3,(H,19,21)
• InChIKey: JVKWTDRHWOSRFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)dodecanamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)dodecanamide
• Synonyms: N-LAUROYL-p-AMINOPHENOL

Database IDs

• CAS Number: 103-98-0
• PubChem SID: 162093158
• PubChem CID: 66902

CALCULATED PROPERTIES

• Acid pKa: 9.461598
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.6089973
• LogD (pH = 7.4): 5.6053143
• Log P: 5.6090446
• Molar Refractivity: 88.9378 cm^3
• Polarizability: 34.2349 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05202518

MP Biomedicals Rare Chemical collection