N-(4-methoxyphenyl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanamide

• ChemBase ID: 190120
• Molecular Formular: C25H21NO5
• Molecular Mass: 415.43794
• Monoisotopic Mass: 415.14197278
• SMILES: c1(c2c(oc(=O)c1)cc(OC(C(=O)Nc1ccc(cc1)OC)C)cc2)c1ccccc1
• Canonical SMILES: COc1ccc(cc1)NC(=O)C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C
• InChI: InChI=1S/C25H21NO5/c1-16(25(28)26-18-8-10-19(29-2)11-9-18)30-20-12-13-21-22(17-6-4-3-5-7-17)15-24(27)31-23(21)14-20/h3-16H,1-2H3,(H,26,28)
• InChIKey: MNZJUZFZFRKBCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanamide
• IUPAC Traditional name: N-(4-methoxyphenyl)-2-[(2-oxo-4-phenylchromen-7-yl)oxy]propanamide

Database IDs

• PubChem SID: 164246030
• PubChem CID: 3841811

CALCULATED PROPERTIES

• Acid pKa: 13.05649
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.382265
• LogD (pH = 7.4): 4.382264
• Log P: 4.382265
• Molar Refractivity: 126.8835 cm^3
• Polarizability: 44.789375 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