Basic information
- CAS
84607-97-6- Standard SMILES
CC[N+](CC)(CC(=O)Nc1ccccc1OC)CC(=O)Nc1c(C)cc(C)cc1C- InChIKey
XUQXPFKGWLEBBU-UHFFFAOYSA-O- Molecular formula
- C24H34N3O3+
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.26001696
Names & identifiers
- Preferred name
- Ammonium, diethyl(((o-methoxyphenyl)carbamoyl)methyl)(((2,4,6-trimethylphenyl)carbamoyl)methyl)-
- IUPAC
- diethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Names & synonyms
84607-97-6Ammonium, diethyl(((o-methoxyphenyl)carbamoyl)methyl)(((2,4,6-trimethylphenyl)carbamoyl)methyl)-DTXSID10233620RefChem:319203DTXCID40156111N,N-Diethyl-2-(2-methoxyanilino)-2-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ethan-1-aminium
Database identifiers
- CAS
84607-97-6- PubChem CID
- 54355
- DTXSID
DTXSID10233620
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 1
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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