[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxybenzoate
Basic information
- CAS
380345-26-6- Standard SMILES
CC(CCc1ccccc1)NC(=O)COC(=O)c1ccccc1O- InChIKey
SQBHJLGHSCLKST-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Names & identifiers
- Preferred name
- [2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxybenzoate
- IUPAC
- [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxybenzoate
Names & synonyms
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-hydroxybenzoateMLS000774802CHEMBL1416168DTXSID401333446HMS2771N06AKOS002504119380345-26-6SMR000365489Z197036792-Oxo-2-[(4-phenylbutan-2-yl)amino]ethyl 2-hydroxybenzoate
Database identifiers
- CAS
380345-26-6- PubChem CID
- 4477477
- DTXSID
DTXSID401333446- ChEMBL
CHEMBL1416168
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
Solubility1.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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