2-[2-(butan-2-yl)phenoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide

• ChemBase ID: 718865
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: C1(=O)N(CCNC(=O)COc2c(C(CC)C)cccc2)CCN1
• Canonical SMILES: CCC(c1ccccc1OCC(=O)NCCN1CCNC1=O)C
• InChI: InChI=1S/C17H25N3O3/c1-3-13(2)14-6-4-5-7-15(14)23-12-16(21)18-8-10-20-11-9-19-17(20)22/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)(H,19,22)
• InChIKey: HKUCXUACJVGWGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(butan-2-yl)phenoxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-[2-(sec-butyl)phenoxy]acetamide
• Synonyms: 2-(2-sec-butylphenoxy)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.511301
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3640136
• LogD (pH = 7.4): 1.3640133
• Log P: 1.3640136
• Molar Refractivity: 88.0112 cm^3
• Polarizability: 34.02351 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.06
• LOG S: -3.29
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 8