N-ethyl-2-(1H-imidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide

• ChemBase ID: 444229
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: C(=O)(N(C(c1ccc(cc1)OC)CC)CC)Cn1cncc1
• Canonical SMILES: CCC(N(C(=O)Cn1cncc1)CC)c1ccc(cc1)OC
• InChI: InChI=1S/C17H23N3O2/c1-4-16(14-6-8-15(22-3)9-7-14)20(5-2)17(21)12-19-11-10-18-13-19/h6-11,13,16H,4-5,12H2,1-3H3
• InChIKey: BXLGOSNLNGJBGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-(1H-imidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
• IUPAC Traditional name: N-ethyl-2-(imidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
• Synonyms: N-ethyl-2-(1H-imidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5357419
• LogD (pH = 7.4): 2.0001755
• Log P: 2.059552
• Molar Refractivity: 86.3769 cm^3
• Polarizability: 33.34721 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.32
• LOG S: -3.38
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 7