Basic information
- CAS
793716-32-2- Standard SMILES
O=C(COc1ccccc1C(=O)O)NC1CCCc2ccccc21- InChIKey
UGSWVZSMXDEPPC-UHFFFAOYSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13140809
Names & identifiers
- Preferred name
- 2-[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid
- IUPAC
- 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid
Names & synonyms
2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acidOprea1_726042MLS001002583CHEMBL1369362DTXSID301331223HMS1715P04HMS2727P23AKOS034471512793716-32-2SMR000369109Z570435252-{2-Oxo-2-[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy}benzoic acid
Database identifiers
- CAS
793716-32-2- PubChem CID
- 4877005
- DTXSID
DTXSID301331223- ChEMBL
CHEMBL1369362
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
Experimental & physicochemical properties
Solubility13.8 [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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