1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride
Basic information
- CAS
118564-57-1- Standard SMILES
CCC(C(=O)Nc1c(C)cc(C)cc1C)N1CCCCCC1.Cl- InChIKey
ORNHFQJTAXWJMG-UHFFFAOYSA-N- Molecular formula
- C19H31ClN2O
- Average molar mass
- 338.9 g/mol
- Monoisotopic mass
- 338.2124913
Names & identifiers
- Preferred name
- 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride
- IUPAC
- 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide;hydrochloride
Names & synonyms
1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride118564-57-1RefChem:1057790alpha-Ethyl-N-(2,4,6-trimethylphenyl)-1H-hexahydroazepine-1-acetamide monohydrochlorideDTXSID409227122-(Azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanimidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
118564-57-1- PubChem CID
- 3088596
- DTXSID
DTXSID40922712
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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