Basic information
- CAS
93799-11-2- Standard SMILES
CC1(C)C=C(C(=O)NCCNC(=O)c2ccccc2C(=O)O)C(C)(C)N1- InChIKey
SBHMFOZIJMWLMK-UHFFFAOYSA-N- Molecular formula
- C19H25N3O4
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.18450629
Names & identifiers
- Preferred name
- Benzoic acid, 2-(((2-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)ethyl)amino)carbonyl)-
- IUPAC
- 2-[2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]ethylcarbamoyl]benzoic acid
Names & synonyms
BRN 5994647Benzoic acid, 2-(((2-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)ethyl)amino)carbonyl)-93799-11-2DTXSID40239650RefChem:326579DTXCID90162141CHEMBL154182-{[2-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamido)ethyl]carbamoyl}benzoic acid
Database identifiers
- CAS
93799-11-2- PubChem CID
- 56705
- DTXSID
DTXSID40239650- ChEMBL
CHEMBL15418
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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