N-[2-(2-ethylphenoxy)ethyl]-N-methyl-2-(1-methyl-1H-imidazol-2-yl)benzamide

• ChemBase ID: 584548
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: c1(c2c(C(=O)N(CCOc3c(CC)cccc3)C)cccc2)n(ccn1)C
• Canonical SMILES: CCc1ccccc1OCCN(C(=O)c1ccccc1c1nccn1C)C
• InChI: InChI=1S/C22H25N3O2/c1-4-17-9-5-8-12-20(17)27-16-15-25(3)22(26)19-11-7-6-10-18(19)21-23-13-14-24(21)2/h5-14H,4,15-16H2,1-3H3
• InChIKey: CYYGENWRFMETLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethylphenoxy)ethyl]-N-methyl-2-(1-methyl-1H-imidazol-2-yl)benzamide
• IUPAC Traditional name: N-[2-(2-ethylphenoxy)ethyl]-N-methyl-2-(1-methylimidazol-2-yl)benzamide
• Synonyms: N-[2-(2-ethylphenoxy)ethyl]-N-methyl-2-(1-methyl-1H-imidazol-2-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5110273
• LogD (pH = 7.4): 3.9892406
• Log P: 4.0032544
• Molar Refractivity: 118.0773 cm^3
• Polarizability: 41.415947 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: 3.9
• LOG S: -5.18
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 7