2-(dimethylamino)-N-(furan-3-ylmethyl)-2-(3-methylphenyl)acetamide

• ChemBase ID: 573530
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: c1(C(C(=O)NCc2cocc2)N(C)C)cc(ccc1)C
• Canonical SMILES: CN(C(c1cccc(c1)C)C(=O)NCc1cocc1)C
• InChI: InChI=1S/C16H20N2O2/c1-12-5-4-6-14(9-12)15(18(2)3)16(19)17-10-13-7-8-20-11-13/h4-9,11,15H,10H2,1-3H3,(H,17,19)
• InChIKey: INXJIQXYMUYKMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-(furan-3-ylmethyl)-2-(3-methylphenyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-(furan-3-ylmethyl)-2-(3-methylphenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-(3-furylmethyl)-2-(3-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.940627
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.54328847
• LogD (pH = 7.4): 2.118079
• Log P: 2.3994555
• Molar Refractivity: 79.3167 cm^3
• Polarizability: 30.484524 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.64
• LOG S: -3.44
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 5