N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1H-imidazol-1-yl)-N-propylpropanamide

• ChemBase ID: 700031
• Molecular Formular: C18H25N3O2
• Molecular Mass: 315.41
• Monoisotopic Mass: 315.19467706
• SMILES: n1(c(ncc1)C)CCC(=O)N(Cc1ccc(cc1)OC)CCC
• Canonical SMILES: CCCN(C(=O)CCn1ccnc1C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C18H25N3O2/c1-4-11-21(14-16-5-7-17(23-3)8-6-16)18(22)9-12-20-13-10-19-15(20)2/h5-8,10,13H,4,9,11-12,14H2,1-3H3
• InChIKey: PILQEVUOYSXKGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1H-imidazol-1-yl)-N-propylpropanamide
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-3-(2-methylimidazol-1-yl)-N-propylpropanamide
• Synonyms: N-(4-methoxybenzyl)-3-(2-methyl-1H-imidazol-1-yl)-N-propylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9905844
• LogD (pH = 7.4): 1.75934
• Log P: 2.0030544
• Molar Refractivity: 91.0982 cm^3
• Polarizability: 35.112255 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: 2.44
• LOG S: -3.59
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 8