2-[2-(benzyloxy)ethyl]-N,N-dimethylbenzamide

• ChemBase ID: 340313
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: C(=O)(c1c(CCOCc2ccccc2)cccc1)N(C)C
• Canonical SMILES: O=C(c1ccccc1CCOCc1ccccc1)N(C)C
• InChI: InChI=1S/C18H21NO2/c1-19(2)18(20)17-11-7-6-10-16(17)12-13-21-14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
• InChIKey: MGOHJNPJTJUPLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(benzyloxy)ethyl]-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-[2-(benzyloxy)ethyl]-N,N-dimethylbenzamide
• Synonyms: 2-[2-(benzyloxy)ethyl]-N,N-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.160149
• LogD (pH = 7.4): 3.1601493
• Log P: 3.1601493
• Molar Refractivity: 85.8645 cm^3
• Polarizability: 32.579674 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.43
• LOG S: -3.34
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6