2-{5,9-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}-N-(propan-2-yl)acetamide

• ChemBase ID: 213761
• Molecular Formular: C24H23NO4
• Molecular Mass: 389.44372
• Monoisotopic Mass: 389.16270822
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NC(C)C)C)cc1c(c2C)occ1c1ccccc1
• Canonical SMILES: CC(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccccc1)C
• InChI: InChI=1S/C24H23NO4/c1-13(2)25-21(26)11-18-14(3)17-10-19-20(16-8-6-5-7-9-16)12-28-22(19)15(4)23(17)29-24(18)27/h5-10,12-13H,11H2,1-4H3,(H,25,26)
• InChIKey: LWRGLXHYINGTAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5,9-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-{5,9-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}-N-isopropylacetamide

Database IDs

• PubChem SID: 164269671
• PubChem CID: 4868889

CALCULATED PROPERTIES

• Acid pKa: 14.729405
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1125183
• LogD (pH = 7.4): 4.1125183
• Log P: 4.1125183
• Molar Refractivity: 111.3589 cm^3
• Polarizability: 45.078762 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds