Basic information
- CAS
104816-27-5- Standard SMILES
CCCC(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1.[Cl-]- InChIKey
VKWZLTSIMVAZGL-UHFFFAOYSA-N- Molecular formula
- C17H28ClN3O2
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.1870048
Names & identifiers
- Preferred name
- Benzamide, N-(2-(diethylamino)ethyl)-4-((1-oxobutyl)amino)-, monohydrochloride
- IUPAC
- 2-[[4-(butanoylamino)benzoyl]amino]ethyl-diethylazanium chloride
Names & synonyms
N-(2-(Diethylamino)ethyl)-4-((1-oxobutyl)amino)benzamide hydrochlorideBENZAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-4-((1-OXOBUTYL)AMINO)-, MONOHYDROCHLORIDE104816-27-5RefChem:322199
Database identifiers
- CAS
104816-27-5- PubChem CID
- 59889
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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