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

• ChemBase ID: 214530
• Molecular Formular: C24H23NO4
• Molecular Mass: 389.44372
• Monoisotopic Mass: 389.16270822
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CC(=O)NCC(C)C
• Canonical SMILES: CC(CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)C
• InChI: InChI=1S/C24H23NO4/c1-14(2)12-25-23(26)10-18-15(3)17-9-19-20(16-7-5-4-6-8-16)13-28-21(19)11-22(17)29-24(18)27/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)
• InChIKey: GKEZJGUBRYYUGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270440
• PubChem CID: 4967784

CALCULATED PROPERTIES

• Acid pKa: 14.767008
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.070017
• LogD (pH = 7.4): 4.070017
• Log P: 4.070017
• Molar Refractivity: 110.8945 cm^3
• Polarizability: 45.15787 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