Basic information
- CAS
752227-76-2- Standard SMILES
COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)C(C)C- InChIKey
NGBQGAOKNLXCJD-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17835828
Names & identifiers
- Preferred name
- [2-(5-Tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-methylpropanoate
- IUPAC
- [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-methylpropanoate
Names & synonyms
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-methylpropanoateMLS001005369CHEMBL1383374DTXSID201325871HMS1727G03HMS2716E09AKOS033699546752227-76-2SMR000348779Z196781292-(5-tert-Butyl-2-methoxyanilino)-2-oxoethyl 2-methylpropanoate
Database identifiers
- CAS
752227-76-2- PubChem CID
- 2124674
- DTXSID
DTXSID201325871- ChEMBL
CHEMBL1383374
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
Solubility33.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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