N-(4-phenoxyphenyl)prop-2-enamide

• ChemBase ID: 284682
• Molecular Formular: C15H13NO2
• Molecular Mass: 239.26922
• Monoisotopic Mass: 239.09462866
• SMILES: C(=O)(Nc1ccc(Oc2ccccc2)cc1)C=C
• Canonical SMILES: C=CC(=O)Nc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C15H13NO2/c1-2-15(17)16-12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h2-11H,1H2,(H,16,17)
• InChIKey: MEKQGWMFJFNYOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-phenoxyphenyl)prop-2-enamide
• IUPAC Traditional name: N-(4-phenoxyphenyl)prop-2-enamide
• Synonyms: N-(4-phenoxyphenyl)prop-2-enamide

Database IDs

• MDL Number: MFCD12091155
• PubChem SID: 180670213
• PubChem CID: 43616300

CALCULATED PROPERTIES

• Acid pKa: 15.205179
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4675364
• LogD (pH = 7.4): 3.4675364
• Log P: 3.4675364
• Molar Refractivity: 71.8095 cm^3
• Polarizability: 27.143108 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.514

Product Information

• Purity: 95%