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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:44:39 UTC
Update Date2023-02-21 17:21:07 UTC
HMDB IDHMDB0031651
Secondary Accession Numbers
  • HMDB31651
Metabolite Identification
Common NameN-(3-Methylbutyl)acetamide
DescriptionN-(3-Methylbutyl)acetamide, also known as isoamyl acetamide or N-butylethanimidate, belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl group. Based on a literature review very few articles have been published on N-(3-Methylbutyl)acetamide.
Structure
Thumb
Synonyms
ValueSource
Isoamyl acetamideHMDB
N-(3-Methylbutyl)-acetamideHMDB
N-IsoamylacetamideHMDB
N-IsopentylacetamideHMDB
N-ButylethanimidateHMDB
Chemical FormulaC6H13NO
Average Molecular Weight115.1735
Monoisotopic Molecular Weight115.099714043
IUPAC NameN-butylacetamide
Traditional Nameacetamide, N-butyl-
CAS Registry Number13434-12-3
SMILES
CCCCNC(C)=O
InChI Identifier
InChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)
InChI KeyGYLDXXLJMRTVSS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentAcetamides
Alternative Parents
Substituents
  • Acetamide
  • Secondary carboxylic acid amide
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility8839 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB008311
KNApSAcK IDNot Available
Chemspider ID55205
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound61265
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1634481
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .