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

• ChemBase ID: 214665
• Molecular Formular: C24H23NO4
• Molecular Mass: 389.44372
• Monoisotopic Mass: 389.16270822
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CCC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)C
• InChI: InChI=1S/C24H23NO4/c1-14(2)25-23(26)10-9-17-15(3)18-11-19-20(16-7-5-4-6-8-16)13-28-21(19)12-22(18)29-24(17)27/h4-8,11-14H,9-10H2,1-3H3,(H,25,26)
• InChIKey: BIQLMTWFGDMRBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270575
• PubChem CID: 4968030

CALCULATED PROPERTIES

• Acid pKa: 15.313318
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0436645
• LogD (pH = 7.4): 4.0436654
• Log P: 4.0436654
• Molar Refractivity: 110.9187 cm^3
• Polarizability: 45.15793 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds