2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

• ChemBase ID: 213942
• Molecular Formular: C23H25NO5
• Molecular Mass: 395.4483
• Monoisotopic Mass: 395.17327291
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)C)OC)CC(=O)NCCc1ccc(cc1)OC)C
• Canonical SMILES: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCCc1ccc(cc1)OC
• InChI: InChI=1S/C23H25NO5/c1-14-11-19(28-4)22-15(2)18(23(26)29-20(22)12-14)13-21(25)24-10-9-16-5-7-17(27-3)8-6-16/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,25)
• InChIKey: MUKBJTWDYFPNBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
• IUPAC Traditional name: 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

Database IDs

• PubChem SID: 164269852
• PubChem CID: 4869185

CALCULATED PROPERTIES

• Acid pKa: 14.6893215
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2305782
• LogD (pH = 7.4): 3.2305782
• Log P: 3.2305782
• Molar Refractivity: 110.5082 cm^3
• Polarizability: 42.51125 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds