ethyl 2-(N-{4-[N-(2-ethoxy-2-oxoethyl)acetamido]phenyl}acetamido)acetate

• ChemBase ID: 166782
• Molecular Formular: C18H24N2O6
• Molecular Mass: 364.39296
• Monoisotopic Mass: 364.1634365
• SMILES: c1c(ccc(c1)N(CC(=O)OCC)C(=O)C)N(CC(=O)OCC)C(=O)C
• Canonical SMILES: CCOC(=O)CN(c1ccc(cc1)N(C(=O)C)CC(=O)OCC)C(=O)C
• InChI: InChI=1S/C18H24N2O6/c1-5-25-17(23)11-19(13(3)21)15-7-9-16(10-8-15)20(14(4)22)12-18(24)26-6-2/h7-10H,5-6,11-12H2,1-4H3
• InChIKey: XCQLTLHHIANKDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(N-{4-[N-(2-ethoxy-2-oxoethyl)acetamido]phenyl}acetamido)acetate
• IUPAC Traditional name: ethyl 2-(N-{4-[N-(2-ethoxy-2-oxoethyl)acetamido]phenyl}acetamido)acetate
• Synonyms: N,N'-Diacetyl-N,N'-1,4-Phenylenedi-glycine Diethyl Ester

Database IDs

• CAS Number: 189194-00-1
• PubChem SID: 162260915
• PubChem CID: 71315879

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.13816932
• LogD (pH = 7.4): 0.13816933
• Log P: 0.13816933
• Molar Refractivity: 93.2204 cm^3
• Polarizability: 36.43238 Å^3
• Polar Surface Area: 93.22 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Solid