2-[(7-methyl-2-oxo-4-phenyl-2H-chromen-5-yl)oxy]acetamide

• ChemBase ID: 187237
• Molecular Formular: C18H15NO4
• Molecular Mass: 309.316
• Monoisotopic Mass: 309.10010797
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OCC(=O)N)C)c1ccccc1
• Canonical SMILES: NC(=O)COc1cc(C)cc2c1c(cc(=O)o2)c1ccccc1
• InChI: InChI=1S/C18H15NO4/c1-11-7-14(22-10-16(19)20)18-13(12-5-3-2-4-6-12)9-17(21)23-15(18)8-11/h2-9H,10H2,1H3,(H2,19,20)
• InChIKey: DXYUEDXIBRJSBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(7-methyl-2-oxo-4-phenyl-2H-chromen-5-yl)oxy]acetamide
• IUPAC Traditional name: 2-[(7-methyl-2-oxo-4-phenylchromen-5-yl)oxy]acetamide

Database IDs

• PubChem SID: 164243147
• PubChem CID: 933325

CALCULATED PROPERTIES

• Acid pKa: 15.210865
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.243349
• LogD (pH = 7.4): 2.243349
• Log P: 2.243349
• Molar Refractivity: 94.5125 cm^3
• Polarizability: 32.61921 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds