WS-23   Click here for help

GtoPdb Ligand ID: 2474

Synonyms: WS 23
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 29.1
Molecular weight 171.16
XLogP 2.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)C(C(C)C)(C(C)C)C
Isomeric SMILES CNC(=O)C(C(C)C)(C(C)C)C
InChI InChI=1S/C10H21NO/c1-7(2)10(5,8(3)4)9(12)11-6/h7-8H,1-6H3,(H,11,12)
InChI Key RWAXQWRDVUOOGG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N,2,3-trimethyl-2-propan-2-ylbutanamide
Synonyms Click here for help
WS 23
Database Links Click here for help
CAS Registry No. 51115-67-4 (source: Scifinder)
GtoPdb PubChem SID 53800994
PubChem CID 65300
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