N-(2-ethoxyphenyl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase ID: 219298
• Molecular Formular: C24H23NO5
• Molecular Mass: 405.44312
• Monoisotopic Mass: 405.15762284
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)Nc1c(OCC)cccc1)C)C)C
• Canonical SMILES: CCOc1ccccc1NC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C
• InChI: InChI=1S/C24H23NO5/c1-5-28-18-9-7-6-8-17(18)25-20(26)11-16-15(4)22-19(30-24(16)27)10-13(2)21-14(3)12-29-23(21)22/h6-10,12H,5,11H2,1-4H3,(H,25,26)
• InChIKey: DKEDEIYBQYYQPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyphenyl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC Traditional name: N-(2-ethoxyphenyl)-2-{3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

Database IDs

• PubChem SID: 164275208
• PubChem CID: 4869532

CALCULATED PROPERTIES

• Acid pKa: 10.80293
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.4220343
• LogD (pH = 7.4): 4.421865
• Log P: 4.422036
• Molar Refractivity: 114.8667 cm^3
• Polarizability: 44.27702 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds