2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[4-(propan-2-yl)phenyl]acetamide

• ChemBase ID: 220042
• Molecular Formular: C23H25NO5
• Molecular Mass: 395.4483
• Monoisotopic Mass: 395.17327291
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)Nc1ccc(cc1)C(C)C)C
• Canonical SMILES: COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)Nc1ccc(cc1)C(C)C
• InChI: InChI=1S/C23H25NO5/c1-13(2)15-6-8-16(9-7-15)24-21(25)12-18-14(3)22-19(28-5)10-17(27-4)11-20(22)29-23(18)26/h6-11,13H,12H2,1-5H3,(H,24,25)
• InChIKey: UOOWJYCQHJSZHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[4-(propan-2-yl)phenyl]acetamide
• IUPAC Traditional name: 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-isopropylphenyl)acetamide

Database IDs

• PubChem SID: 164275952
• PubChem CID: 4900057

CALCULATED PROPERTIES

• Acid pKa: 10.879596
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9665983
• LogD (pH = 7.4): 3.9664564
• Log P: 3.9666002
• Molar Refractivity: 111.8486 cm^3
• Polarizability: 42.49891 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds