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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16081
CHEMBL16081
Compound Name ACETAMIDE
ChEMBL Synonyms Acetamide
Max Phase 0
Trade Names
Molecular Formula C2H5NO

Additional synonyms for CHEMBL16081 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N
Standard InChI InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
Standard InChI Key DLFVBJFMPXGRIB-UHFFFAOYSA-N

Sources

  • Open TG-GATEs
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL16081

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
59.1 59.0371 -0.83 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
- - -.86 -.86 0 4 0.39

Structural Alerts

There are no structural alerts for CHEMBL16081

Compound Cross References

ChemSpider ChemSpider:DLFVBJFMPXGRIB-UHFFFAOYSA-N
PubChem SID: 11110709 SID: 144211093 SID: 50105717 SID: 50105718 SID: 85230893 SID: 90341044
Wikipedia Acetamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16081



ACToR 60-35-5
Brenda 1057 21808 105345
ChEBI 27856 49028
DrugBank DB02736
eMolecules 27677444 474292
EPA CompTox Dashboard DTXSID7020005
FDA SRS 8XOE1JSO29
Guide to Pharmacology 4661
Human Metabolome Database HMDB31645
KEGG Ligand C06244
LINCS LSM-37224
Mcule MCULE-9280264861
MolPort MolPort-001-779-697
Nikkaji J2.339F
NMRShiftDB 10016739
PDBe ACM
PubChem 178
PubChem: Thomson Pharma 15296862
SureChEMBL SCHEMBL5232
ZINC ZINC000008034818

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