Basic information
- CAS
104816-34-4- Standard SMILES
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C(C)(C)C)cc1.O=C([O-])C(=O)O- InChIKey
FGJOKOMZAYAKFP-UHFFFAOYSA-N- Molecular formula
- C20H31N3O6
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.22128572
Names & identifiers
- Preferred name
- Benzamide, N-(2-(diethylamino)ethyl)-4-((2,2-dimethyl-1-oxopropyl)amino)-, ethanedioate (1:1)
- IUPAC
- 2-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]ethyl-diethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
Benzamide, N-(2-(diethylamino)ethyl)-4-((2,2-dimethyl-1-oxopropyl)amino)-, ethanedioate (1:1)104816-34-4DTXSID50146760N-(2-(Diethylamino)ethyl)-4-((2,2-dimethyl-1-oxopropyl)amino)benzamide ethanedioate (1:1)RefChem:322200DTXCID50692512-[4-(2,2-Dimethylpropanamido)benzamido]-N,N-diethylethan-1-aminium hydrogen ethanedioate
Database identifiers
- CAS
104816-34-4- PubChem CID
- 59895
- DTXSID
DTXSID50146760
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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