N-Demethylencainide
Basic information
- CAS
58754-40-8- Standard SMILES
COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2)cc1- InChIKey
QLMVRMLCNYDKJN-UHFFFAOYSA-N- Molecular formula
- C21H26N2O2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.19942808
Overview
RN given refers to cpd without isomeric designation; structure given in first source
Names & identifiers
- Preferred name
- N-Demethylencainide
- IUPAC
- 4-methoxy-N-[2-(2-piperidin-2-ylethyl)phenyl]benzamide
- English name
- N-demethylencainide
- Molecular formula
- C21H26N2O2
- Molecular weight
- 338.44334
Names & synonyms
N-DemethylencainideND EncainideN-Desmethylenecainide58754-40-8RefChem:927115MJ 11081(+-)-4-Methoxy-N-(2-(2-(2-piperidinyl)ethyl)phenyl)benzamideBENZAMIDE, 4-METHOXY-N-(2-(2-(2-PIPERIDINYL)ETHYL)PHENYL)-, (+-)-87085-10-7SCHEMBL112695814-methoxy-N-{2-[2-(piperidin-2-yl)ethyl]phenyl}benzamideDTXSID80974275
Show more names
NS00115945Benzamide, 4-methoxy-N-(2-(2-(2-piperidinyl)ethyl)phenyl)-
Database identifiers
- CAS
58754-40-8、87085-10-7- PubChem CID
- 55647
- DTXSID
DTXSID80974275- Nikkaji
- J588.149H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 407
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN-demethylencainide is a known human metabolite of Encainide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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