etidocaine   Click here for help

GtoPdb Ligand ID: 2621

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 32.34
Molecular weight 276.22
XLogP 3.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCN(C(C(=O)Nc1c(C)cccc1C)CC)CC
Isomeric SMILES CCCN(C(C(=O)Nc1c(C)cccc1C)CC)CC
InChI InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)
InChI Key VTUSIVBDOCDNHS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(2,6-dimethylphenyl)-2-(ethyl-propylamino)butanamide
International Nonproprietary Names Click here for help
INN number INN
3419 etidocaine
Database Links Click here for help
BindingDB Ligand 50017706
CAS Registry No. 36637-18-0 (source: Scifinder)
ChEBI CHEBI:106883
ChEMBL Ligand CHEMBL492
DrugCentral Ligand 1097
GtoPdb PubChem SID 135650244
PubChem CID 37497
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