Basic information
- CAS
300590-14-1- Standard SMILES
CCCCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccccn2)cc1- InChIKey
DQMGORMHOXWGQG-UHFFFAOYSA-N- Molecular formula
- C19H21N3O4
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.15320616
Names & identifiers
- Preferred name
- Butyl 4-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
- IUPAC
- butyl 4-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
Names & synonyms
4-[(Pyridin-2-ylmethyl)-aminooxalyl]-amino)-benzoic acid butyl ester4-((PYRIDIN-2-YLMETHYL)-AMINOOXALYL)-AMINO)-BENZOIC ACID BUTYL ESTERbutyl 4-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate300590-14-1MLS001047311CHEMBL1321296DTXSID201331668HMS2793A20AKOS022106378SMR000427406Butyl 4-(2-oxo{[(pyridin-2-yl)methyl]amino}acetamido)benzoatebutyl 4-(2-oxo-2-((pyridin-2-ylmethyl)amino)acetamido)benzoate
Database identifiers
- CAS
300590-14-1- PubChem CID
- 3698876
- DTXSID
DTXSID201331668- ChEMBL
CHEMBL1321296- EC Number
- 157-996-6
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 475
Experimental & physicochemical properties
Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…