2-(dimethylamino)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenyl)-N-(propan-2-yl)acetamide

• ChemBase ID: 591267
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: C(=O)(N(Cc1nnc(o1)CC)C(C)C)C(c1cc(ccc1)C)N(C)C
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)C(c1cccc(c1)C)N(C)C)C(C)C
• InChI: InChI=1S/C19H28N4O2/c1-7-16-20-21-17(25-16)12-23(13(2)3)19(24)18(22(5)6)15-10-8-9-14(4)11-15/h8-11,13,18H,7,12H2,1-6H3
• InChIKey: PQBBWEHPQRUOLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenyl)-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-(3-methylphenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-(3-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.24300085
• LogD (pH = 7.4): 1.8352491
• Log P: 2.134476
• Molar Refractivity: 100.1876 cm^3
• Polarizability: 37.86094 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.61
• LOG S: -3.08
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7