3-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
Basic information
- CAS
21236-52-2- Standard SMILES
CCN(CC)CCC(=O)Nc1c(C)cccc1C- InChIKey
HZRZNZDFRXKYTA-UHFFFAOYSA-N- Molecular formula
- C15H24N2O
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.18886339
Names & identifiers
- Preferred name
- 3-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
- IUPAC
- 3-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
- English name
- L 30
- Molecular formula
- C15H24N2O
- Molecular weight
- 248.36
Names & synonyms
21236-52-23-(diethylamino)-N-(2,6-dimethylphenyl)propanamideL 30Antiarrhythmic agent-3starbld0004663CHEMBL10321orb1703257SCHEMBL18485526DTXSID90877900AKOS0283023673-(Diethylamino)-2',6'-propionoxylidide2',6'-Propionoxylidide, 3-(diethylamino)-
Show more names
N-(2,6-Dimethylphenyl)-3-(diethylamino)propanamidePropanamide, 3-(diethylamino)-N-(2,6-dimethylphenyl)-
CS-0066081T24283N-(2,6-Dimethylphenyl)-N~3~,N~3~-diethyl-beta-alaninamide
Database identifiers
- CAS
21236-52-2- PubChem CID
- 88832
- DTXSID
DTXSID90877900- ChEMBL
CHEMBL10321- Nikkaji
- J400.889H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
LogP2.21
Physicochemical properties
- pka
- 8.96 · pKa 8.96(H2O)(Approximate)
Chemistry & industry
Applications
UsesAntiarrhythmic agent-3 is an antiarrhythmic drug with the activity of enhancing antiarrhythmic efficacy and improving inhibition index. The antiarrhythmic effect of antiarrhythmic agent-3 is related to its hydrophobicity (log P). The central nervous system toxicity of antiarrhythmic agent-3 is related to the combined effect of its hydrophobicity and acid constant (pKa)[1].
Related reactions
0 records
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Compound notes
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