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

• ChemBase ID: 311230
• Molecular Formular: C16H18N2O2
• Molecular Mass: 270.32632
• Monoisotopic Mass: 270.13682783
• SMILES: C(=C\c1cc(O)ccc1)(/C(=O)NC1CCCCC1)\C#N
• Canonical SMILES: N#C/C(=C\c1cccc(c1)O)/C(=O)NC1CCCCC1
• InChI: InChI=1S/C16H18N2O2/c17-11-13(9-12-5-4-8-15(19)10-12)16(20)18-14-6-2-1-3-7-14/h4-5,8-10,14,19H,1-3,6-7H2,(H,18,20)/b13-9+
• InChIKey: KQZVZLBNHAPQHA-UKTHLTGXSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 351893-99-7
• MDL Number: MFCD01801073

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8601942
• LogD (pH = 7.4): 2.8455887
• Log P: 2.8603835
• Molar Refractivity: 77.8275 cm^3
• Polarizability: 29.496973 Å^3
• Polar Surface Area: 73.12 Å^2