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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL352219
CHEMBL352219
Compound Name ISOBUTYRAMIDE
ChEMBL Synonyms Isobutyramide
Max Phase 0
Trade Names
Molecular Formula C4H9NO

Additional synonyms for CHEMBL352219 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C(=O)N
Standard InChI InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
Standard InChI Key WFKAJVHLWXSISD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL352219

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
87.1 87.0684 0.3 1 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
- - 0 0 0 6 0.49

Structural Alerts

There are no structural alerts for CHEMBL352219

Compound Cross References

ChemSpider ChemSpider:WFKAJVHLWXSISD-UHFFFAOYSA-N
PubChem SID: 74118
Wikipedia Isobutyramide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL352219



ACToR 563-83-7
Brenda 170254 2339 104611 106339 97456
eMolecules 481883
EPA CompTox Dashboard DTXSID1060340
FDA SRS 82UOE7B38Z
IBM Patent System F99008FB38118BD917B7DF3E3DEDD212
Mcule MCULE-9773835068
MolPort MolPort-001-780-137
Nikkaji J2.672G
NMRShiftDB 10016899
PDBe IBO
PubChem 68424
PubChem: Thomson Pharma 15146322
SureChEMBL SCHEMBL3323
ZINC ZINC000001484944

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