N-(3-methoxyphenyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 196258
• Molecular Formular: C19H17NO5
• Molecular Mass: 339.34198
• Monoisotopic Mass: 339.11067265
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)Nc1cc(OC)ccc1)C
• Canonical SMILES: COc1cccc(c1)NC(=O)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C19H17NO5/c1-12-8-19(22)25-17-10-15(6-7-16(12)17)24-11-18(21)20-13-4-3-5-14(9-13)23-2/h3-10H,11H2,1-2H3,(H,20,21)
• InChIKey: AKZBWMRQHZFFOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-(3-methoxyphenyl)-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164252168
• PubChem CID: 863919

CALCULATED PROPERTIES

• Acid pKa: 12.421792
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6796968
• LogD (pH = 7.4): 2.679693
• Log P: 2.6796968
• Molar Refractivity: 93.1189 cm^3
• Polarizability: 35.22117 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds