N-[4-(furan-2-yl)butan-2-yl]-2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 218016
• Molecular Formular: C25H23NO6
• Molecular Mass: 433.45322
• Monoisotopic Mass: 433.15253746
• SMILES: c12c(=O)cc(oc1cc(cc2O)OCC(=O)NC(CCc1occc1)C)c1ccccc1
• Canonical SMILES: CC(NC(=O)COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1)CCc1ccco1
• InChI: InChI=1S/C25H23NO6/c1-16(9-10-18-8-5-11-30-18)26-24(29)15-31-19-12-20(27)25-21(28)14-22(32-23(25)13-19)17-6-3-2-4-7-17/h2-8,11-14,16,27H,9-10,15H2,1H3,(H,26,29)
• InChIKey: JSLOZLIEIVYOTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)butan-2-yl]-2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-[4-(furan-2-yl)butan-2-yl]-2-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164273926
• PubChem CID: 16408002

CALCULATED PROPERTIES

• Acid pKa: 8.548721
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.8290975
• LogD (pH = 7.4): 3.7999406
• Log P: 3.8294826
• Molar Refractivity: 119.1511 cm^3
• Polarizability: 45.280758 Å^3
• Polar Surface Area: 98.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds