2-(dimethylamino)-2-(3-fluorophenyl)-N-(3-methylbutyl)acetamide

• ChemBase ID: 321392
• Molecular Formular: C15H23FN2O
• Molecular Mass: 266.3543232
• Monoisotopic Mass: 266.17944159
• SMILES: c1(C(C(=O)NCCC(C)C)N(C)C)cc(F)ccc1
• Canonical SMILES: CC(CCNC(=O)C(c1cccc(c1)F)N(C)C)C
• InChI: InChI=1S/C15H23FN2O/c1-11(2)8-9-17-15(19)14(18(3)4)12-6-5-7-13(16)10-12/h5-7,10-11,14H,8-9H2,1-4H3,(H,17,19)
• InChIKey: IEKPWPAQIYLZAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-(3-methylbutyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-(3-methylbutyl)acetamide
• Synonyms: 2-(dimethylamino)-2-(3-fluorophenyl)-N-(3-methylbutyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.943474
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3562578
• LogD (pH = 7.4): 2.6543455
• Log P: 2.7749357
• Molar Refractivity: 75.7881 cm^3
• Polarizability: 29.281614 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.99
• LOG S: -3.7
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6