N-[2-(2-chlorophenoxy)ethyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide

• ChemBase ID: 568404
• Molecular Formular: C19H23ClN2O2
• Molecular Mass: 346.85112
• Monoisotopic Mass: 346.14480567
• SMILES: c1(C(C(=O)NCCOc2c(Cl)cccc2)N(C)C)cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)C(C(=O)NCCOc1ccccc1Cl)N(C)C
• InChI: InChI=1S/C19H23ClN2O2/c1-14-7-6-8-15(13-14)18(22(2)3)19(23)21-11-12-24-17-10-5-4-9-16(17)20/h4-10,13,18H,11-12H2,1-3H3,(H,21,23)
• InChIKey: VINJLNPWBOMISH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-chlorophenoxy)ethyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
• IUPAC Traditional name: N-[2-(2-chlorophenoxy)ethyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
• Synonyms: N-[2-(2-chlorophenoxy)ethyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 1
• Log P: 3.92
• LOG S: -5.08

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 14.64992
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.92625
• LogD (pH = 7.4): 3.501249
• Log P: 3.7828312
• Molar Refractivity: 97.5477 cm^3
• Polarizability: 38.02492 Å^3
• Polar Surface Area: 41.57 Å^2