2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[4-(propan-2-yloxy)phenyl]acetamide

• ChemBase ID: 190648
• Molecular Formular: C21H21NO5
• Molecular Mass: 367.39514
• Monoisotopic Mass: 367.14197278
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)Nc1ccc(OC(C)C)cc1)C
• Canonical SMILES: O=C(Nc1ccc(cc1)OC(C)C)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C21H21NO5/c1-13(2)26-16-6-4-15(5-7-16)22-20(23)12-25-17-8-9-18-14(3)10-21(24)27-19(18)11-17/h4-11,13H,12H2,1-3H3,(H,22,23)
• InChIKey: UKHXWDPPGMTQGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[4-(propan-2-yloxy)phenyl]acetamide
• IUPAC Traditional name: N-(4-isopropoxyphenyl)-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164246558
• PubChem CID: 1188736

CALCULATED PROPERTIES

• Acid pKa: 12.706284
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.45308
• LogD (pH = 7.4): 3.4530778
• Log P: 3.45308
• Molar Refractivity: 102.2863 cm^3
• Polarizability: 38.895493 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