N-[3-(3-ethylphenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide

• ChemBase ID: 749044
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: C1(=O)N(CC(=O)N(CCCOc2cc(ccc2)CC)C)CCN1
• Canonical SMILES: CCc1cccc(c1)OCCCN(C(=O)CN1CCNC1=O)C
• InChI: InChI=1S/C17H25N3O3/c1-3-14-6-4-7-15(12-14)23-11-5-9-19(2)16(21)13-20-10-8-18-17(20)22/h4,6-7,12H,3,5,8-11,13H2,1-2H3,(H,18,22)
• InChIKey: WYIDFFRJLGSUCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3-ethylphenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-[3-(3-ethylphenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide
• Synonyms: N-[3-(3-ethylphenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.791801
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.91606164
• LogD (pH = 7.4): 0.91606146
• Log P: 0.91606164
• Molar Refractivity: 88.6237 cm^3
• Polarizability: 34.024036 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.17
• LOG S: -3.38
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 8