2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide

• ChemBase ID: 319083
• Molecular Formular: C18H24N2OS
• Molecular Mass: 316.46096
• Monoisotopic Mass: 316.1609344
• SMILES: c1(C(C(=O)NCCc2c(ccs2)C)N(C)C)cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)C(C(=O)NCCc1sccc1C)N(C)C
• InChI: InChI=1S/C18H24N2OS/c1-13-6-5-7-15(12-13)17(20(3)4)18(21)19-10-8-16-14(2)9-11-22-16/h5-7,9,11-12,17H,8,10H2,1-4H3,(H,19,21)
• InChIKey: LYASTRDEHXDMAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methyl-2-thienyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.680421
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1175432
• LogD (pH = 7.4): 3.6925697
• Log P: 3.974174
• Molar Refractivity: 93.5998 cm^3
• Polarizability: 35.875614 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: 3.78
• LOG S: -4.74
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6