N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 863370
• Molecular Formular: C22H28FN3O
• Molecular Mass: 369.4756232
• Monoisotopic Mass: 369.22164075
• SMILES: C(=O)(N(Cc1ncccc1)C1CCCCC1)C(c1ccc(cc1)F)N(C)C
• Canonical SMILES: CN(C(C(=O)N(C1CCCCC1)Cc1ccccn1)c1ccc(cc1)F)C
• InChI: InChI=1S/C22H28FN3O/c1-25(2)21(17-11-13-18(23)14-12-17)22(27)26(20-9-4-3-5-10-20)16-19-8-6-7-15-24-19/h6-8,11-15,20-21H,3-5,9-10,16H2,1-2H3
• InChIKey: CXYMWSAOFSJISS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1912143
• LogD (pH = 7.4): 3.6117501
• Log P: 3.7752368
• Molar Refractivity: 105.2103 cm^3
• Polarizability: 40.928326 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.91
• LOG S: -3.93
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6