(2E)-2-cyano-N-cyclohexyl-3-(4-hydroxyphenyl)prop-2-enamide

• ChemBase ID: 311232
• Molecular Formular: C16H18N2O2
• Molecular Mass: 270.32632
• Monoisotopic Mass: 270.13682783
• SMILES: C(=C\c1ccc(cc1)O)(/C(=O)NC1CCCCC1)\C#N
• Canonical SMILES: N#C/C(=C\c1ccc(cc1)O)/C(=O)NC1CCCCC1
• InChI: InChI=1S/C16H18N2O2/c17-11-13(10-12-6-8-15(19)9-7-12)16(20)18-14-4-2-1-3-5-14/h6-10,14,19H,1-5H2,(H,18,20)/b13-10+
• InChIKey: DUPVLVSNYMMWHR-JLHYYAGUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-2-cyano-N-cyclohexyl-3-(4-hydroxyphenyl)prop-2-enamide
• IUPAC Traditional name: (2E)-2-cyano-N-cyclohexyl-3-(4-hydroxyphenyl)prop-2-enamide
• Synonyms: (2E)-2-cyano-N-cyclohexyl-3-(4-hydroxyphenyl)acrylamide

Database IDs

• CAS Number: 351894-04-7
• MDL Number: MFCD01801084

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8598132
• LogD (pH = 7.4): 2.8171906
• Log P: 2.8603835
• Molar Refractivity: 77.8275 cm^3
• Polarizability: 29.496218 Å^3
• Polar Surface Area: 73.12 Å^2