2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide

• ChemBase ID: 219884
• Molecular Formular: C23H25NO7
• Molecular Mass: 427.4471
• Monoisotopic Mass: 427.16310215
• SMILES: c12oc(=O)c(c(c1ccc(c2OC)OC)C)CC(=O)NCCOc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OCCNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2OC)OC
• InChI: InChI=1S/C23H25NO7/c1-14-15-9-10-19(28-3)22(29-4)21(15)31-23(26)16(14)13-20(25)24-11-12-30-18-8-6-5-7-17(18)27-2/h5-10H,11-13H2,1-4H3,(H,24,25)
• InChIKey: YFTCNDZQGQPLQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275794
• PubChem CID: 17571760

CALCULATED PROPERTIES

• Acid pKa: 14.524619
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.1904008
• LogD (pH = 7.4): 2.1904008
• Log P: 2.1904008
• Molar Refractivity: 113.1148 cm^3
• Polarizability: 43.98242 Å^3
• Polar Surface Area: 92.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds