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

• ChemBase ID: 213790
• Molecular Formular: C24H21NO4
• Molecular Mass: 387.42784
• Monoisotopic Mass: 387.14705816
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CCC(=O)NC1CC1
• Canonical SMILES: O=C(NC1CC1)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1
• InChI: InChI=1S/C24H21NO4/c1-14-17(9-10-23(26)25-16-7-8-16)24(27)29-22-12-21-19(11-18(14)22)20(13-28-21)15-5-3-2-4-6-15/h2-6,11-13,16H,7-10H2,1H3,(H,25,26)
• InChIKey: JBEJYRQWHSMVAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164269700
• PubChem CID: 4868933

CALCULATED PROPERTIES

• Acid pKa: 15.196291
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7358463
• LogD (pH = 7.4): 3.735847
• Log P: 3.735847
• Molar Refractivity: 108.9625 cm^3
• Polarizability: 44.42073 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