N-[(3-ethoxyphenyl)methyl]-2-(1-methyl-1H-imidazol-2-yl)-N-(prop-2-en-1-yl)benzamide

• ChemBase ID: 471509
• Molecular Formular: C23H25N3O2
• Molecular Mass: 375.4635
• Monoisotopic Mass: 375.19467706
• SMILES: c1(c2c(C(=O)N(Cc3cc(OCC)ccc3)CC=C)cccc2)n(ccn1)C
• Canonical SMILES: C=CCN(C(=O)c1ccccc1c1nccn1C)Cc1cccc(c1)OCC
• InChI: InChI=1S/C23H25N3O2/c1-4-14-26(17-18-9-8-10-19(16-18)28-5-2)23(27)21-12-7-6-11-20(21)22-24-13-15-25(22)3/h4,6-13,15-16H,1,5,14,17H2,2-3H3
• InChIKey: MOEYJFLJARIJDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethoxyphenyl)methyl]-2-(1-methyl-1H-imidazol-2-yl)-N-(prop-2-en-1-yl)benzamide
• IUPAC Traditional name: N-[(3-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)-N-(prop-2-en-1-yl)benzamide
• Synonyms: N-allyl-N-(3-ethoxybenzyl)-2-(1-methyl-1H-imidazol-2-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.564048
• LogD (pH = 7.4): 4.0420723
• Log P: 4.056074
• Molar Refractivity: 122.87 cm^3
• Polarizability: 43.096207 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.02
• LOG S: -5.37
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 8