2-{[Acetyl-(4-tetradecyloxy-benzoyl)-amino]-methyl}-1-methyl-pyridinium; iodide

HCID 9851823
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Basic information

Standard SMILES
CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1
InChIKey
UAFNJVZVJIQIAS-UHFFFAOYSA-N
Molecular formula
C30H45N2O3+
Average molar mass
481.7 g/mol
Monoisotopic mass
481.3430183

Names & identifiers

Preferred name
2-{[Acetyl-(4-tetradecyloxy-benzoyl)-amino]-methyl}-1-methyl-pyridinium; iodide
IUPAC
N-acetyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide

Names & synonyms

CHEMBL154205CHEMBL1181058BDBM500477692-{[Acetyl-(4-tetradecyloxy-benzoyl)-amino]-methyl}-1-methyl-pyridinium; iodide

Database identifiers

PubChem CID
9851823
ChEMBL
CHEMBL1181058、CHEMBL154205
Nikkaji
J545.220A

Properties

Computed structural properties

XLogP
8.4
Topological polar surface area
50.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
17
Heavy atoms
35

Related reactions

1 records
New reaction record

Compound notes

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