2-(morpholin-3-yl)-N-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}acetamide

• ChemBase ID: 449686
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: C(=O)(N1CCCC1)Cc1ccc(NC(=O)CC2NCCOC2)cc1
• Canonical SMILES: O=C(Nc1ccc(cc1)CC(=O)N1CCCC1)CC1COCCN1
• InChI: InChI=1S/C18H25N3O3/c22-17(12-16-13-24-10-7-19-16)20-15-5-3-14(4-6-15)11-18(23)21-8-1-2-9-21/h3-6,16,19H,1-2,7-13H2,(H,20,22)
• InChIKey: DZDQDXIJNAQCJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)-N-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}acetamide
• IUPAC Traditional name: 2-(morpholin-3-yl)-N-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}acetamide
• Synonyms: 2-(3-morpholinyl)-N-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.109118
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8068303
• LogD (pH = 7.4): -0.090344146
• Log P: 0.48164135
• Molar Refractivity: 92.9636 cm^3
• Polarizability: 35.59863 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.36
• LOG S: -2.62
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5