N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 392230
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCC(c2cc(OC)ccc2)O)ccc1C
• Canonical SMILES: COc1cccc(c1)C(CNC(=O)c1ccc(c(c1)N1CCNC1=O)C)O
• InChI: InChI=1S/C20H23N3O4/c1-13-6-7-15(11-17(13)23-9-8-21-20(23)26)19(25)22-12-18(24)14-4-3-5-16(10-14)27-2/h3-7,10-11,18,24H,8-9,12H2,1-2H3,(H,21,26)(H,22,25)
• InChIKey: CPFPVHMMUZFWNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.971991
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.3178324
• LogD (pH = 7.4): 1.3178324
• Log P: 1.3178325
• Molar Refractivity: 101.6959 cm^3
• Polarizability: 38.484024 Å^3
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.78
• LOG S: -2.56
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 6