ethyl 2-({2-[(4-methoxyphenyl)methyl]morpholine-4-carbonyl}amino)acetate

• ChemBase ID: 528687
• Molecular Formular: C17H24N2O5
• Molecular Mass: 336.38286
• Monoisotopic Mass: 336.16852188
• SMILES: C(=O)(N1CC(OCC1)Cc1ccc(cc1)OC)NCC(=O)OCC
• Canonical SMILES: CCOC(=O)CNC(=O)N1CCOC(C1)Cc1ccc(cc1)OC
• InChI: InChI=1S/C17H24N2O5/c1-3-23-16(20)11-18-17(21)19-8-9-24-15(12-19)10-13-4-6-14(22-2)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)
• InChIKey: VBKWQZYXCJWROG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-({2-[(4-methoxyphenyl)methyl]morpholine-4-carbonyl}amino)acetate
• IUPAC Traditional name: ethyl 2-{2-[(4-methoxyphenyl)methyl]morpholine-4-carbonylamino}acetate
• Synonyms: ethyl N-{[2-(4-methoxybenzyl)-4-morpholinyl]carbonyl}glycinate

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.569817
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9846093
• LogD (pH = 7.4): 0.9846093
• Log P: 0.9846093
• Molar Refractivity: 88.0105 cm^3
• Polarizability: 34.38651 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.52
• LOG S: -4.17
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 4