ethyl 2-[(2-carbamoylphenyl)amino]acetate

• ChemBase ID: 245856
• Molecular Formular: C11H14N2O3
• Molecular Mass: 222.24046
• Monoisotopic Mass: 222.10044232
• SMILES: c1(C(=O)N)c(NCC(=O)OCC)cccc1
• Canonical SMILES: CCOC(=O)CNc1ccccc1C(=O)N
• InChI: InChI=1S/C11H14N2O3/c1-2-16-10(14)7-13-9-6-4-3-5-8(9)11(12)15/h3-6,13H,2,7H2,1H3,(H2,12,15)
• InChIKey: UXTDCASLMNAHJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(2-carbamoylphenyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(2-carbamoylphenyl)amino]acetate
• Synonyms: ethyl 2-[(2-carbamoylphenyl)amino]acetate

Database IDs

• MDL Number: MFCD23144167
• PubChem SID: 164301766
• PubChem CID: 13566148

CALCULATED PROPERTIES

• Acid pKa: 13.400368
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.92734945
• LogD (pH = 7.4): 0.92734915
• Log P: 0.92734957
• Molar Refractivity: 60.9325 cm^3
• Polarizability: 22.468487 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.181

Product Information

• Purity: 95%