2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-(propan-2-yl)acetamide

• ChemBase ID: 731917
• Molecular Formular: C16H25NO3
• Molecular Mass: 279.3746
• Monoisotopic Mass: 279.18344367
• SMILES: N(C(=O)COCCOC)(Cc1cc(ccc1)C)C(C)C
• Canonical SMILES: COCCOCC(=O)N(C(C)C)Cc1cccc(c1)C
• InChI: InChI=1S/C16H25NO3/c1-13(2)17(16(18)12-20-9-8-19-4)11-15-7-5-6-14(3)10-15/h5-7,10,13H,8-9,11-12H2,1-4H3
• InChIKey: AFHRDZJTNZHBKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-2-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]acetamide
• Synonyms: N-isopropyl-2-(2-methoxyethoxy)-N-(3-methylbenzyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.749584
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2072442
• LogD (pH = 7.4): 2.2072442
• Log P: 2.2072442
• Molar Refractivity: 80.5774 cm^3
• Polarizability: 31.254656 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: 2.5
• LOG S: -3.37
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8