N-(4-hydroxyphenyl)-2-[4-(6-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]acetamide

• ChemBase ID: 219883
• Molecular Formular: C24H19NO6
• Molecular Mass: 417.41076
• Monoisotopic Mass: 417.12123733
• SMILES: c1(c(=O)oc2c(c1)cc(cc2)OC)c1ccc(OCC(=O)Nc2ccc(cc2)O)cc1
• Canonical SMILES: COc1ccc2c(c1)cc(c(=O)o2)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)O
• InChI: InChI=1S/C24H19NO6/c1-29-20-10-11-22-16(12-20)13-21(24(28)31-22)15-2-8-19(9-3-15)30-14-23(27)25-17-4-6-18(26)7-5-17/h2-13,26H,14H2,1H3,(H,25,27)
• InChIKey: SDJYHEKVMYEFJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)-2-[4-(6-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]acetamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)-2-[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]acetamide

Database IDs

• PubChem SID: 164275793
• PubChem CID: 17571759

CALCULATED PROPERTIES

• Acid pKa: 9.436274
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.7447748
• LogD (pH = 7.4): 3.7408714
• Log P: 3.7448246
• Molar Refractivity: 115.2699 cm^3
• Polarizability: 43.635586 Å^3
• Polar Surface Area: 94.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds