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

• ChemBase ID: 219790
• Molecular Formular: C24H19NO6
• Molecular Mass: 417.41076
• Monoisotopic Mass: 417.12123733
• SMILES: c1(c(=O)oc2c(c1)cc(cc2)OC)c1ccc(OCC(=O)Nc2cc(O)ccc2)cc1
• Canonical SMILES: COc1ccc2c(c1)cc(c(=O)o2)c1ccc(cc1)OCC(=O)Nc1cccc(c1)O
• InChI: InChI=1S/C24H19NO6/c1-29-20-9-10-22-16(11-20)12-21(24(28)31-22)15-5-7-19(8-6-15)30-14-23(27)25-17-3-2-4-18(26)13-17/h2-13,26H,14H2,1H3,(H,25,27)
• InChIKey: VYVPFBRUJCBAET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275700
• PubChem CID: 17571677

CALCULATED PROPERTIES

• Acid pKa: 9.231772
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.7447448
• LogD (pH = 7.4): 3.7385128
• Log P: 3.7448246
• Molar Refractivity: 115.2699 cm^3
• Polarizability: 43.636368 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