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

• ChemBase ID: 219902
• Molecular Formular: C25H23NO6
• Molecular Mass: 433.45322
• Monoisotopic Mass: 433.15253746
• SMILES: c1(c(=O)oc2c(c1)cc(cc2)OC)c1ccc(OCC(=O)NCCCc2occc2)cc1
• Canonical SMILES: COc1ccc2c(c1)cc(c(=O)o2)c1ccc(cc1)OCC(=O)NCCCc1ccco1
• InChI: InChI=1S/C25H23NO6/c1-29-21-10-11-23-18(14-21)15-22(25(28)32-23)17-6-8-20(9-7-17)31-16-24(27)26-12-2-4-19-5-3-13-30-19/h3,5-11,13-15H,2,4,12,16H2,1H3,(H,26,27)
• InChIKey: WGXBAVBYBIJPLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275812
• PubChem CID: 17571773

CALCULATED PROPERTIES

• Acid pKa: 14.40488
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3928638
• LogD (pH = 7.4): 3.3928638
• Log P: 3.3928638
• Molar Refractivity: 118.2441 cm^3
• Polarizability: 45.43581 Å^3
• Polar Surface Area: 87.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds