N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 196161
• Molecular Formular: C21H21NO5
• Molecular Mass: 367.39514
• Monoisotopic Mass: 367.14197278
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)NCCc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C21H21NO5/c1-14-11-21(24)27-19-12-17(7-8-18(14)19)26-13-20(23)22-10-9-15-3-5-16(25-2)6-4-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,23)
• InChIKey: DXLWUAPNQCBMHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252071
• PubChem CID: 1800219

CALCULATED PROPERTIES

• Acid pKa: 14.714448
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6752627
• LogD (pH = 7.4): 2.6752627
• Log P: 2.6752627
• Molar Refractivity: 100.9281 cm^3
• Polarizability: 38.907047 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