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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1231396
CHEMBL1231396
Compound Name BUTYRAMIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H9NO

Additional synonyms for CHEMBL1231396 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)N
Standard InChI InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
Standard InChI Key DNSISZSEWVHGLH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1231396

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 0.27 2 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
- - .16 .16 0 6 0.52

Structural Alerts

There are no structural alerts for CHEMBL1231396

Compound Cross References

ChemSpider ChemSpider:DNSISZSEWVHGLH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1231396



ACToR 42861-32-5 541-35-5
Brenda 30226 97460 153831 38403 3331
ChEBI 50724
ChemicalBook CB8271158
DrugBank DB02121
eMolecules 487115
EPA CompTox Dashboard DTXSID8060248
FDA SRS 9J6OR937VR
Human Metabolome Database HMDB0033870
IBM Patent System 2205743CC72438EA11027C892226DE8A
LipidMaps LMFA08010018
Mcule MCULE-2712067671
MolPort MolPort-001-785-584
Nikkaji J2.639E
NMRShiftDB 20200102
PDBe BMD
PubChem 10927
PubChem: Thomson Pharma 15264717
SureChEMBL SCHEMBL5681
ZINC ZINC000001586734

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