N-(4-methoxyphenyl)-2-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]propanamide

• ChemBase ID: 192427
• Molecular Formular: C20H19NO5
• Molecular Mass: 353.36856
• Monoisotopic Mass: 353.12632271
• SMILES: c1(c2c(oc(=O)c1)ccc(OC(C(=O)Nc1ccc(cc1)OC)C)c2)C
• Canonical SMILES: COc1ccc(cc1)NC(=O)C(Oc1ccc2c(c1)c(C)cc(=O)o2)C
• InChI: InChI=1S/C20H19NO5/c1-12-10-19(22)26-18-9-8-16(11-17(12)18)25-13(2)20(23)21-14-4-6-15(24-3)7-5-14/h4-11,13H,1-3H3,(H,21,23)
• InChIKey: KISMWBXZTFFICH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-2-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]propanamide
• IUPAC Traditional name: N-(4-methoxyphenyl)-2-[(4-methyl-2-oxochromen-6-yl)oxy]propanamide

Database IDs

• PubChem SID: 164248337
• PubChem CID: 2924830

CALCULATED PROPERTIES

• Acid pKa: 13.056512
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.248461
• LogD (pH = 7.4): 3.2484603
• Log P: 3.2484612
• Molar Refractivity: 97.6128 cm^3
• Polarizability: 37.057438 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