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

• ChemBase ID: 212509
• Molecular Formular: C22H21NO5
• Molecular Mass: 379.40584
• Monoisotopic Mass: 379.14197278
• SMILES: c12c(c(cc(=O)o1)c1ccc(cc1)OC)ccc(c2C)OCC(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C)OCC(=O)NC1CC1
• InChI: InChI=1S/C22H21NO5/c1-13-19(27-12-20(24)23-15-5-6-15)10-9-17-18(11-21(25)28-22(13)17)14-3-7-16(26-2)8-4-14/h3-4,7-11,15H,5-6,12H2,1-2H3,(H,23,24)
• InChIKey: CMZXOAVMDGMBKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164268419
• PubChem CID: 4965072

CALCULATED PROPERTIES

• Acid pKa: 14.442355
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7749183
• LogD (pH = 7.4): 2.7749183
• Log P: 2.7749183
• Molar Refractivity: 113.0836 cm^3
• Polarizability: 39.93898 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