N-(2-methoxyethyl)-2-{[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetamide

• ChemBase ID: 213544
• Molecular Formular: C22H23NO6
• Molecular Mass: 397.42112
• Monoisotopic Mass: 397.15253746
• SMILES: c12c(c(cc(=O)o1)c1ccc(cc1)OC)ccc(c2C)OCC(=O)NCCOC
• Canonical SMILES: COCCNC(=O)COc1ccc2c(c1C)oc(=O)cc2c1ccc(cc1)OC
• InChI: InChI=1S/C22H23NO6/c1-14-19(28-13-20(24)23-10-11-26-2)9-8-17-18(12-21(25)29-22(14)17)15-4-6-16(27-3)7-5-15/h4-9,12H,10-11,13H2,1-3H3,(H,23,24)
• InChIKey: OLBMELDBPGYXDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-{[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-{[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxy}acetamide

Database IDs

• PubChem SID: 164269454
• PubChem CID: 4967565

CALCULATED PROPERTIES

• Acid pKa: 14.500226
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.2623782
• LogD (pH = 7.4): 2.2623782
• Log P: 2.2623782
• Molar Refractivity: 116.9159 cm^3
• Polarizability: 41.372345 Å^3
• Polar Surface Area: 83.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds