2-[4-(3-phenylprop-2-enoyl)phenoxy]acetamide

• ChemBase ID: 85137
• Molecular Formular: C17H15NO3
• Molecular Mass: 281.3059
• Monoisotopic Mass: 281.10519335
• SMILES: O=C(COc1ccc(cc1)C(=O)/C=C/c1ccccc1)N
• Canonical SMILES: O=C(c1ccc(cc1)OCC(=O)N)/C=C/c1ccccc1
• InChI: InChI=1S/C17H15NO3/c18-17(20)12-21-15-9-7-14(8-10-15)16(19)11-6-13-4-2-1-3-5-13/h1-11H,12H2,(H2,18,20)
• InChIKey: GWTMMRLRNBKVFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(3-phenylprop-2-enoyl)phenoxy]acetamide
• IUPAC Traditional name: 2-[4-(3-phenylprop-2-enoyl)phenoxy]acetamide
• Synonyms: 2-(4-cinnamoylphenoxy)acetamide

Database IDs

• MDL Number: MFCD00831927
• PubChem SID: 162072253
• PubChem CID: 5378141

CALCULATED PROPERTIES

• Acid pKa: 15.069483
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4036946
• LogD (pH = 7.4): 2.4036946
• Log P: 2.4036946
• Molar Refractivity: 81.247 cm^3
• Polarizability: 30.895388 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true