N-[1-(furan-2-yl)propan-2-yl]-2-[4-(6-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]acetamide

• ChemBase ID: 220256
• Molecular Formular: C25H23NO6
• Molecular Mass: 433.45322
• Monoisotopic Mass: 433.15253746
• SMILES: c1(c(=O)oc2c(c1)cc(cc2)OC)c1ccc(OCC(=O)NC(Cc2occc2)C)cc1
• Canonical SMILES: COc1ccc2c(c1)cc(c(=O)o2)c1ccc(cc1)OCC(=O)NC(Cc1ccco1)C
• InChI: InChI=1S/C25H23NO6/c1-16(12-21-4-3-11-30-21)26-24(27)15-31-19-7-5-17(6-8-19)22-14-18-13-20(29-2)9-10-23(18)32-25(22)28/h3-11,13-14,16H,12,15H2,1-2H3,(H,26,27)
• InChIKey: IDJWPQQORQINIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(furan-2-yl)propan-2-yl]-2-[4-(6-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]acetamide
• IUPAC Traditional name: N-[1-(furan-2-yl)propan-2-yl]-2-[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]acetamide

Database IDs

• PubChem SID: 164276166
• PubChem CID: 17572079

CALCULATED PROPERTIES

• Acid pKa: 14.278656
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.292076
• LogD (pH = 7.4): 3.292076
• Log P: 3.292076
• Molar Refractivity: 118.0183 cm^3
• Polarizability: 45.435654 Å^3
• Polar Surface Area: 87.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds