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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL345235
CHEMBL345235
Compound Name PIVALAMIDE
ChEMBL Synonyms 2,2-Dimethyl-Propionamide | Pivalamide
Max Phase 0
Trade Names
Molecular Formula C5H11NO

Additional synonyms for CHEMBL345235 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)C(=O)N
Standard InChI InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
Standard InChI Key XIPFMBOWZXULIA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL345235

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
101.2 101.0841 0.52 0 43.09 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .41 .41 0 7 0.47

Structural Alerts

There are no structural alerts for CHEMBL345235

Compound Cross References

ChemSpider ChemSpider:XIPFMBOWZXULIA-UHFFFAOYSA-N
Wikipedia Pivalamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL345235



ACToR 754-10-9
Brenda 97433 133826 49354
eMolecules 595053
EPA CompTox Dashboard DTXSID6061072
FDA SRS FES86MR7ZI
IBM Patent System EDCB7A39F4AFD6ACC9DB88632D6D071D
Mcule MCULE-1267347906
MolPort MolPort-000-146-863
Nikkaji J100.747E
NMRShiftDB 20200837
PDBe TAY
PubChem 12957
PubChem: Thomson Pharma 15958341
SureChEMBL SCHEMBL2484
ZINC ZINC000000167037

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XIPFMBOWZXULIA-UHFFFAOYSA-N spacer
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