N-[4-(furan-2-yl)butan-2-yl]-2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 219593
• Molecular Formular: C25H23NO5
• Molecular Mass: 417.45382
• Monoisotopic Mass: 417.15762284
• SMILES: c1(c(=O)c2c(oc1)cc(OCC(=O)NC(CCc1occc1)C)cc2)c1ccccc1
• Canonical SMILES: CC(NC(=O)COc1ccc2c(c1)occ(c2=O)c1ccccc1)CCc1ccco1
• InChI: InChI=1S/C25H23NO5/c1-17(9-10-19-8-5-13-29-19)26-24(27)16-30-20-11-12-21-23(14-20)31-15-22(25(21)28)18-6-3-2-4-7-18/h2-8,11-15,17H,9-10,16H2,1H3,(H,26,27)
• InChIKey: GNYVGLVKFSJOHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)butan-2-yl]-2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-[4-(furan-2-yl)butan-2-yl]-2-[(4-oxo-3-phenylchromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164275503
• PubChem CID: 16409490

CALCULATED PROPERTIES

• Acid pKa: 14.188763
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.853231
• LogD (pH = 7.4): 3.853231
• Log P: 3.853231
• Molar Refractivity: 115.9392 cm^3
• Polarizability: 44.66054 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds