N-(3,5-dimethoxyphenyl)-2-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 214353
• Molecular Formular: C24H23NO6
• Molecular Mass: 421.44252
• Monoisotopic Mass: 421.15253746
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CC(=O)Nc1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(NC(=O)Cc2c(=O)oc3c(c2C)cc2c(c3)oc(c2C)C)cc(c1)OC
• InChI: InChI=1S/C24H23NO6/c1-12-14(3)30-21-11-22-19(9-18(12)21)13(2)20(24(27)31-22)10-23(26)25-15-6-16(28-4)8-17(7-15)29-5/h6-9,11H,10H2,1-5H3,(H,25,26)
• InChIKey: ROLXDAACSSMKQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dimethoxyphenyl)-2-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-(3,5-dimethoxyphenyl)-2-{2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164270263
• PubChem CID: 4869865

CALCULATED PROPERTIES

• Acid pKa: 10.933694
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5936954
• LogD (pH = 7.4): 3.5935702
• Log P: 3.593697
• Molar Refractivity: 116.6898 cm^3
• Polarizability: 44.95354 Å^3
• Polar Surface Area: 87.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds