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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11873
CHEMBL11873
Compound Name
ChEMBL Synonyms N,N-Dimethyl-Acetamide
Max Phase 0
Trade Names
Molecular Formula C4H9NO

Additional synonyms for CHEMBL11873 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)C
Standard InChI InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
Standard InChI Key FXHOOIRPVKKKFG-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL11873

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 -0.42 0 20.31 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.25 -.25 0 6 0.39

Structural Alerts

There are no structural alerts for CHEMBL11873

Compound Cross References

ChemSpider ChemSpider:FXHOOIRPVKKKFG-UHFFFAOYSA-N
PubChem SID: 144209372 SID: 144213104
Wikipedia Dimethylacetamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11873



ACToR 127-19-5
ChEBI 84254
eMolecules 483559
EPA CompTox Dashboard DTXSID5020499
FDA SRS JCV5VDB3HY
IBM Patent System D9E7A27657879E23B604953B147DC1CE 5F4AE52462668B6967F6BBA02E10DBA6
Mcule MCULE-4256511309
MolPort MolPort-000-872-055
Nikkaji J2.517H
NMRShiftDB 10008797
PDBe 5Y9
PharmGKB PA450570
PubChem 31374
PubChem: Thomson Pharma 14747364
SureChEMBL SCHEMBL2415
ZINC ZINC01666602

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