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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

Structural Alerts

There are no structural alerts for CHEMBL352219

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

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
eMolecules 481883
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 ZINC01484944

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