N-(3-hydroxyphenyl)-2-[4-(8-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]acetamide

• ChemBase ID: 221202
• Molecular Formular: C24H19NO6
• Molecular Mass: 417.41076
• Monoisotopic Mass: 417.12123733
• SMILES: c1(=O)c(cc2c(o1)c(OC)ccc2)c1ccc(OCC(=O)Nc2cc(O)ccc2)cc1
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1ccc(cc1)OCC(=O)Nc1cccc(c1)O
• InChI: InChI=1S/C24H19NO6/c1-29-21-7-2-4-16-12-20(24(28)31-23(16)21)15-8-10-19(11-9-15)30-14-22(27)25-17-5-3-6-18(26)13-17/h2-13,26H,14H2,1H3,(H,25,27)
• InChIKey: JOLJAOKGXPBDQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)-2-[4-(8-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]acetamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide

Database IDs

• PubChem SID: 164277112
• PubChem CID: 42507346

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: 43.638905 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