2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-methyl-6-(propan-2-yl)phenyl]acetamide

• ChemBase ID: 216814
• Molecular Formular: C24H27NO5
• Molecular Mass: 409.47488
• Monoisotopic Mass: 409.18892297
• SMILES: c12oc(=O)c(c(c1ccc(c2OC)OC)C)CC(=O)Nc1c(C(C)C)cccc1C
• Canonical SMILES: COc1ccc2c(c1OC)oc(=O)c(c2C)CC(=O)Nc1c(C)cccc1C(C)C
• InChI: InChI=1S/C24H27NO5/c1-13(2)16-9-7-8-14(3)21(16)25-20(26)12-18-15(4)17-10-11-19(28-5)23(29-6)22(17)30-24(18)27/h7-11,13H,12H2,1-6H3,(H,25,26)
• InChIKey: MDSIEXUOVJFDDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-methyl-6-(propan-2-yl)phenyl]acetamide
• IUPAC Traditional name: 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-isopropyl-6-methylphenyl)acetamide

Database IDs

• PubChem SID: 164272724
• PubChem CID: 4869469

CALCULATED PROPERTIES

• Acid pKa: 10.936986
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.48002
• LogD (pH = 7.4): 4.4798956
• Log P: 4.4800215
• Molar Refractivity: 116.8898 cm^3
• Polarizability: 44.265316 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