N-cyclopropyl-2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzamide

• ChemBase ID: 689001
• Molecular Formular: C20H23NO3
• Molecular Mass: 325.40152
• Monoisotopic Mass: 325.1677936
• SMILES: C(=O)(c1c(ccc(c1)C)OC)N(Cc1c(OC)cccc1)C1CC1
• Canonical SMILES: COc1ccccc1CN(C(=O)c1cc(C)ccc1OC)C1CC1
• InChI: InChI=1S/C20H23NO3/c1-14-8-11-19(24-3)17(12-14)20(22)21(16-9-10-16)13-15-6-4-5-7-18(15)23-2/h4-8,11-12,16H,9-10,13H2,1-3H3
• InChIKey: WJVNWIXBKBXBCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzamide
• IUPAC Traditional name: N-cyclopropyl-2-methoxy-N-[(2-methoxyphenyl)methyl]-5-methylbenzamide
• Synonyms: N-cyclopropyl-2-methoxy-N-(2-methoxybenzyl)-5-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6593547
• LogD (pH = 7.4): 3.6593547
• Log P: 3.6593547
• Molar Refractivity: 94.7212 cm^3
• Polarizability: 36.187958 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.79
• LOG S: -4.81
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6