2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(4-phenylbutan-2-yl)acetamide

• ChemBase ID: 213712
• Molecular Formular: C24H27NO5
• Molecular Mass: 409.47488
• Monoisotopic Mass: 409.18892297
• SMILES: c12oc(=O)c(c(c1ccc(c2OC)OC)C)CC(=O)NC(CCc1ccccc1)C
• Canonical SMILES: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NC(CCc1ccccc1)C
• InChI: InChI=1S/C24H27NO5/c1-15(10-11-17-8-6-5-7-9-17)25-21(26)14-19-16(2)18-12-13-20(28-3)23(29-4)22(18)30-24(19)27/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,25,26)
• InChIKey: USCSCLHCULUSJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(4-phenylbutan-2-yl)acetamide
• IUPAC Traditional name: 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylbutan-2-yl)acetamide

Database IDs

• PubChem SID: 164269622
• PubChem CID: 4868804

CALCULATED PROPERTIES

• Acid pKa: 14.6702175
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5783005
• LogD (pH = 7.4): 3.5783005
• Log P: 3.5783005
• Molar Refractivity: 114.4868 cm^3
• Polarizability: 44.430096 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds