Structure Database (LMSD)

Common Name
Butyramide
Systematic Name
butanamide
Synonyms
LM ID
LMFA08010018
Status
Active
Exact Mass
Calculate m/z
87.068414
Formula
C4H9NO
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
Primary amides [FA0801]

String Representations

InChiKey (Click to copy)
DNSISZSEWVHGLH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
SMILES (Click to copy)
C(C(N)=O)CC

References

Other Databases

HMDB ID
HMDB0033870
CHEBI ID
50724
PubChem CID
10927

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 94.91
Topological Polar Surface Area 43.09
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 0.27
Molar Refractivity 24.10

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Updated at
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