2-[4-(dimethylamino)phenyl]-N-(oxolan-3-yl)acetamide

• ChemBase ID: 827382
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: C(=O)(NC1CCOC1)Cc1ccc(N(C)C)cc1
• Canonical SMILES: O=C(Cc1ccc(cc1)N(C)C)NC1COCC1
• InChI: InChI=1S/C14H20N2O2/c1-16(2)13-5-3-11(4-6-13)9-14(17)15-12-7-8-18-10-12/h3-6,12H,7-10H2,1-2H3,(H,15,17)
• InChIKey: IVUMOUYTHJPBSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(dimethylamino)phenyl]-N-(oxolan-3-yl)acetamide
• IUPAC Traditional name: 2-[4-(dimethylamino)phenyl]-N-(oxolan-3-yl)acetamide
• Synonyms: 2-[4-(dimethylamino)phenyl]-N-(tetrahydrofuran-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.72714
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.942681
• LogD (pH = 7.4): 1.0356734
• Log P: 1.0369978
• Molar Refractivity: 72.1232 cm^3
• Polarizability: 27.368412 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 1
• Log P: 0.42
• LOG S: -1.37