2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

• ChemBase ID: 683414
• Molecular Formular: C18H27N3O2
• Molecular Mass: 317.42588
• Monoisotopic Mass: 317.21032712
• SMILES: N1(C(=O)CCC1)CCCNC(=O)C(c1ccc(cc1)C)N(C)C
• Canonical SMILES: CN(C(c1ccc(cc1)C)C(=O)NCCCN1CCCC1=O)C
• InChI: InChI=1S/C18H27N3O2/c1-14-7-9-15(10-8-14)17(20(2)3)18(23)19-11-5-13-21-12-4-6-16(21)22/h7-10,17H,4-6,11-13H2,1-3H3,(H,19,23)
• InChIKey: BJPMJGSZOUANQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.649816
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.80854136
• LogD (pH = 7.4): 0.7760445
• Log P: 1.0672386
• Molar Refractivity: 92.2417 cm^3
• Polarizability: 35.558704 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.37
• LOG S: -2.69
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7