Basic information
- CAS
104816-33-3- Standard SMILES
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C(C)C)cc1.O=C([O-])C(=O)O- InChIKey
KARGUIKJUNBKTI-UHFFFAOYSA-N- Molecular formula
- C19H29N3O6
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.20563565
Names & identifiers
- Preferred name
- Benzamide, N-(2-(diethylamino)ethyl)-4-((2-methyl-1-oxopropyl)amino)-, ethanedioate (1:1)
- IUPAC
- diethyl-[2-[[4-(2-methylpropanoylamino)benzoyl]amino]ethyl]azanium;2-hydroxy-2-oxoacetate
Names & synonyms
Benzamide, N-(2-(diethylamino)ethyl)-4-((2-methyl-1-oxopropyl)amino)-, ethanedioate (1:1)104816-33-3DTXSID40146759N-(2-(Diethylamino)ethyl)-4-((2-methyl-1-oxopropyl)amino)benzamide ethanedioate (1:1)RefChem:322201DTXCID0069250N,N-Diethyl-2-[4-(2-methylpropanamido)benzamido]ethan-1-aminium hydrogen ethanedioate
Database identifiers
- CAS
104816-33-3- PubChem CID
- 59893
- DTXSID
DTXSID40146759
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…