methyl 2-{[2-(2,6-dimethoxyphenoxy)ethyl](methyl)amino}acetate

• ChemBase ID: 406214
• Molecular Formular: C14H21NO5
• Molecular Mass: 283.32024
• Monoisotopic Mass: 283.14197278
• SMILES: c1(c(OC)cccc1OC)OCCN(CC(=O)OC)C
• Canonical SMILES: COC(=O)CN(CCOc1c(OC)cccc1OC)C
• InChI: InChI=1S/C14H21NO5/c1-15(10-13(16)19-4)8-9-20-14-11(17-2)6-5-7-12(14)18-3/h5-7H,8-10H2,1-4H3
• InChIKey: GYXSWXMWVXDZML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-{[2-(2,6-dimethoxyphenoxy)ethyl](methyl)amino}acetate
• IUPAC Traditional name: methyl 2-{[2-(2,6-dimethoxyphenoxy)ethyl](methyl)amino}acetate
• Synonyms: methyl [[2-(2,6-dimethoxyphenoxy)ethyl](methyl)amino]acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.45533898
• LogD (pH = 7.4): 1.1220765
• Log P: 1.142754
• Molar Refractivity: 74.3204 cm^3
• Polarizability: 29.415081 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.72
• LOG S: -1.73
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 9