N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-[4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide

• ChemBase ID: 496646
• Molecular Formular: C18H29N5O3
• Molecular Mass: 363.45456
• Monoisotopic Mass: 363.22703981
• SMILES: C(=O)(N1C(CC(=O)NCCn2c(ncc2)CC)COCC1)N1CCCC1
• Canonical SMILES: CCc1nccn1CCNC(=O)CC1COCCN1C(=O)N1CCCC1
• InChI: InChI=1S/C18H29N5O3/c1-2-16-19-5-9-21(16)10-6-20-17(24)13-15-14-26-12-11-23(15)18(25)22-7-3-4-8-22/h5,9,15H,2-4,6-8,10-14H2,1H3,(H,20,24)
• InChIKey: PRJJUFWYDZPCKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-[4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide
• IUPAC Traditional name: N-[2-(2-ethylimidazol-1-yl)ethyl]-2-[4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide
• Synonyms: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-[4-(1-pyrrolidinylcarbonyl)-3-morpholinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.627656
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3527888
• LogD (pH = 7.4): -0.55473274
• Log P: -0.35980853
• Molar Refractivity: 97.5261 cm^3
• Polarizability: 37.53097 Å^3
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.49
• LOG S: -2.74
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 6