2-(dimethylamino)-N-(3-ethoxypropyl)-2-(3-methylphenyl)acetamide

• ChemBase ID: 509272
• Molecular Formular: C16H26N2O2
• Molecular Mass: 278.38984
• Monoisotopic Mass: 278.19942808
• SMILES: c1(C(C(=O)NCCCOCC)N(C)C)cc(ccc1)C
• Canonical SMILES: CCOCCCNC(=O)C(c1cccc(c1)C)N(C)C
• InChI: InChI=1S/C16H26N2O2/c1-5-20-11-7-10-17-16(19)15(18(3)4)14-9-6-8-13(2)12-14/h6,8-9,12,15H,5,7,10-11H2,1-4H3,(H,17,19)
• InChIKey: IXZJHEGHTRPSCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-(3-ethoxypropyl)-2-(3-methylphenyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-(3-ethoxypropyl)-2-(3-methylphenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-(3-ethoxypropyl)-2-(3-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.796818
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.0478911
• LogD (pH = 7.4): 1.6229213
• Log P: 1.9045292
• Molar Refractivity: 82.8482 cm^3
• Polarizability: 32.091045 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.32
• LOG S: -3.21
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8