N-(2-methoxy-5-methylphenyl)-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 213908
• Molecular Formular: C25H25NO5
• Molecular Mass: 419.4697
• Monoisotopic Mass: 419.17327291
• SMILES: c12c(c(c(c(=O)o1)CC(=O)Nc1c(ccc(c1)C)OC)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: COc1ccc(cc1NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)C
• InChI: InChI=1S/C25H25NO5/c1-12-7-8-21(29-6)20(9-12)26-22(27)11-19-14(3)18-10-17-13(2)16(5)30-23(17)15(4)24(18)31-25(19)28/h7-10H,11H2,1-6H3,(H,26,27)
• InChIKey: ZMORJPKSJKPXDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxy-5-methylphenyl)-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-(2-methoxy-5-methylphenyl)-2-{2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164269818
• PubChem CID: 4869130

CALCULATED PROPERTIES

• Acid pKa: 10.886462
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.778209
• LogD (pH = 7.4): 4.77807
• Log P: 4.778211
• Molar Refractivity: 120.309 cm^3
• Polarizability: 45.9621 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds