N-{5-[(ethylcarbamoyl)amino]-2-methoxyphenyl}-2-methoxyacetamide

• ChemBase ID: 723450
• Molecular Formular: C13H19N3O4
• Molecular Mass: 281.30766
• Monoisotopic Mass: 281.1375561
• SMILES: c1(NC(=O)COC)cc(NC(=O)NCC)ccc1OC
• Canonical SMILES: CCNC(=O)Nc1ccc(c(c1)NC(=O)COC)OC
• InChI: InChI=1S/C13H19N3O4/c1-4-14-13(18)15-9-5-6-11(20-3)10(7-9)16-12(17)8-19-2/h5-7H,4,8H2,1-3H3,(H,16,17)(H2,14,15,18)
• InChIKey: AQTGFVIYJOWRQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5-[(ethylcarbamoyl)amino]-2-methoxyphenyl}-2-methoxyacetamide
• IUPAC Traditional name: N-{5-[(ethylcarbamoyl)amino]-2-methoxyphenyl}-2-methoxyacetamide
• Synonyms: N-(5-{[(ethylamino)carbonyl]amino}-2-methoxyphenyl)-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.5157175
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.36381182
• LogD (pH = 7.4): 0.36378062
• Log P: 0.36381224
• Molar Refractivity: 77.0226 cm^3
• Polarizability: 28.1802 Å^3
• Polar Surface Area: 88.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.52
• LOG S: -1.7
• Polar Surface Area: 88.69 Å^2
• Rotatable Bonds: 6