N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-2-(propan-2-yloxy)propanamide

• ChemBase ID: 827839
• Molecular Formular: C17H27NO3
• Molecular Mass: 293.40118
• Monoisotopic Mass: 293.19909373
• SMILES: C(=O)(N(Cc1ccc(cc1)C)CCOC)C(OC(C)C)C
• Canonical SMILES: COCCN(C(=O)C(OC(C)C)C)Cc1ccc(cc1)C
• InChI: InChI=1S/C17H27NO3/c1-13(2)21-15(4)17(19)18(10-11-20-5)12-16-8-6-14(3)7-9-16/h6-9,13,15H,10-12H2,1-5H3
• InChIKey: CVOPWLWJSGPNBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-2-(propan-2-yloxy)propanamide
• IUPAC Traditional name: 2-isopropoxy-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]propanamide
• Synonyms: 2-isopropoxy-N-(2-methoxyethyl)-N-(4-methylbenzyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7760084
• LogD (pH = 7.4): 2.7760084
• Log P: 2.7760084
• Molar Refractivity: 85.0713 cm^3
• Polarizability: 33.096104 Å^3
• Polar Surface Area: 38.77 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: 3.11
• LOG S: -4.0
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8