N-[(2,6-dimethoxyphenyl)methyl]-2-methoxy-2-methylpropanamide

• ChemBase ID: 850285
• Molecular Formular: C14H21NO4
• Molecular Mass: 267.32084
• Monoisotopic Mass: 267.14705816
• SMILES: c1(CNC(=O)C(OC)(C)C)c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1CNC(=O)C(OC)(C)C)OC
• InChI: InChI=1S/C14H21NO4/c1-14(2,19-5)13(16)15-9-10-11(17-3)7-6-8-12(10)18-4/h6-8H,9H2,1-5H3,(H,15,16)
• InChIKey: QXWHJEFZOSVGPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,6-dimethoxyphenyl)methyl]-2-methoxy-2-methylpropanamide
• IUPAC Traditional name: N-[(2,6-dimethoxyphenyl)methyl]-2-methoxy-2-methylpropanamide
• Synonyms: N-(2,6-dimethoxybenzyl)-2-methoxy-2-methylpropanamide

CALCULATED PROPERTIES

JChem

• Polarizability: 28.325523 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.597281
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4299269
• LogD (pH = 7.4): 1.4299266
• Log P: 1.4299269
• Molar Refractivity: 72.5622 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 1
• Log P: 1.01
• LOG S: -2.01