N-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]acetamide

• ChemBase ID: 81917
• Molecular Formular: C17H15NO3
• Molecular Mass: 281.3059
• Monoisotopic Mass: 281.10519335
• SMILES: N(c1ccc(c(c1)C(=O)/C=C/c1ccccc1)O)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)C(=O)/C=C/c1ccccc1)O
• InChI: InChI=1S/C17H15NO3/c1-12(19)18-14-8-10-17(21)15(11-14)16(20)9-7-13-5-3-2-4-6-13/h2-11,21H,1H3,(H,18,19)
• InChIKey: PQOXQUOIPRIKBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]acetamide
• Synonyms: N1-(3-cinnamoyl-4-hydroxyphenyl)acetamide

Database IDs

• MDL Number: MFCD00219582
• PubChem SID: 162069036
• PubChem CID: 5708884

CALCULATED PROPERTIES

• Acid pKa: 8.149426
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.473505
• LogD (pH = 7.4): 3.4038591
• Log P: 3.4744704
• Molar Refractivity: 83.7209 cm^3
• Polarizability: 30.812696 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true