ethyl N-benzyl-N-methyloxamate
Basic information
- CAS
128429-34-5- Standard SMILES
CCOC(=O)C(=O)N(C)Cc1ccccc1- InChIKey
XYKZEJYMLKSOGC-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Overview
used in treatment of hepatic echinococcosis; structure given in first source
Names & identifiers
- Preferred name
- ethyl N-benzyl-N-methyloxamate
- IUPAC
- ethyl 2-[benzyl(methyl)amino]-2-oxoacetate
- English name
- ethyl N-benzyl-N-methyloxamate
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
Ethyl N-benzyl-N-methyloxamate128429-34-5EBMOEthyl N-N-benzyl-methyl-oxamateDTXSID00155882RefChem:139006DTXCID5078373ethyl 2-[benzyl(methyl)amino]-2-oxoacetateEthyl [benzyl(methyl)amino](oxo)acetateethyl 2-(benzyl(methyl)amino)-2-oxoacetateEthyl (methyl(phenylmethyl)amino)oxoacetateSCHEMBL7790927
Show more names
Acetic acid, 2-[methyl(phenylmethyl)amino]-2-oxo-, ethyl ester
ethyl N-methyl-N-benzyl-oxamateAKOS003281058DA-20867ethyl [N-methyl-N-benzylcarbamoyl]formateST043346Acetic acid, (methyl(phenylmethyl)amino)oxo-, ethyl ester
Database identifiers
- CAS
128429-34-5- PubChem CID
- 124872
- DTXSID
DTXSID00155882- Nikkaji
- J292.255J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 319.8 · 319.8±35.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- -1.37 · -1.37±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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