Basic information
- CAS
5414-93-7- Standard SMILES
CCOC(=O)c1c(C)cc(NC(C)=O)cc1C- InChIKey
JAMYNVNGMNMGRV-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- Ethyl 4-(acetylamino)-2,6-dimethylbenzoate
- IUPAC
- ethyl 4-acetamido-2,6-dimethylbenzoate
Names & synonyms
5414-93-7ethyl 4-(acetylamino)-2,6-dimethylbenzoateethyl 4-acetamido-2,6-dimethylbenzoateNSC10686DTXSID70278931NSC-10686
Database identifiers
- CAS
5414-93-7- PubChem CID
- 223243
- DTXSID
DTXSID70278931
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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