N-benzyl-N-methyl-2-{4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholin-3-yl}acetamide

• ChemBase ID: 739031
• Molecular Formular: C20H27N3O4
• Molecular Mass: 373.44608
• Monoisotopic Mass: 373.20015636
• SMILES: N1(C(=O)CN2C(=O)CCC2)C(CC(=O)N(Cc2ccccc2)C)COCC1
• Canonical SMILES: O=C(N(Cc1ccccc1)C)CC1COCCN1C(=O)CN1CCCC1=O
• InChI: InChI=1S/C20H27N3O4/c1-21(13-16-6-3-2-4-7-16)19(25)12-17-15-27-11-10-23(17)20(26)14-22-9-5-8-18(22)24/h2-4,6-7,17H,5,8-15H2,1H3
• InChIKey: PDKGUOVWCJZKAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-2-{4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholin-3-yl}acetamide
• IUPAC Traditional name: N-benzyl-N-methyl-2-{4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholin-3-yl}acetamide
• Synonyms: N-benzyl-N-methyl-2-{4-[(2-oxo-1-pyrrolidinyl)acetyl]-3-morpholinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.394222
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.31639516
• LogD (pH = 7.4): -0.3163951
• Log P: -0.3163951
• Molar Refractivity: 100.6117 cm^3
• Polarizability: 39.000793 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.21
• LOG S: -3.41
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 6