Basic information
- CAS
349540-52-9- Standard SMILES
CCOC(=O)c1cccc(NC(=O)CC(C)C)c1- InChIKey
SLYFKHIJKAYNOP-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- Ethyl 3-(3-methylbutanoylamino)benzoate
- IUPAC
- ethyl 3-(3-methylbutanoylamino)benzoate
- English name
- ethyl 3-[(3-methylbutanoyl)amino]benzoate
- Molecular formula
- C14H19NO3
- Molecular weight
- 249.30556
Names & synonyms
349540-52-9ethyl 3-[(3-methylbutanoyl)amino]benzoateEthyl 3-[(3-methyl-1-oxobutyl)amino]benzoateethyl 3-(3-methylbutanoylamino)benzoateOprea1_864636DTXSID301259013AKOS002952280ETHYL 3-(3-METHYLBUTANAMIDO)BENZOATEAN-652/41820371
Database identifiers
- CAS
349540-52-9- PubChem CID
- 836626
- DTXSID
DTXSID301259013
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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