N-(4-acetamidophenyl)-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 217370
• Molecular Formular: C25H24N2O5
• Molecular Mass: 432.46846
• Monoisotopic Mass: 432.16852188
• SMILES: c12c(c(c(c(=O)o1)CC(=O)Nc1ccc(NC(=O)C)cc1)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)Nc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C25H24N2O5/c1-12-15(4)31-23-14(3)24-20(10-19(12)23)13(2)21(25(30)32-24)11-22(29)27-18-8-6-17(7-9-18)26-16(5)28/h6-10H,11H2,1-5H3,(H,26,28)(H,27,29)
• InChIKey: VGTJJQPGXITQLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetamidophenyl)-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-(4-acetamidophenyl)-2-{2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164273280
• PubChem CID: 4967652

CALCULATED PROPERTIES

• Acid pKa: 10.944027
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.6601698
• LogD (pH = 7.4): 3.6600473
• Log P: 3.6601713
• Molar Refractivity: 123.6676 cm^3
• Polarizability: 46.559593 Å^3
• Polar Surface Area: 97.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds