Structure database (LMSD)

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LM IDLMFA08010018
Common NameButyramide
Systematic Namebutanamide
Synonyms-
Exact Mass
87.0684 (neutral)    Calculate m/z:
FormulaC4H9NO
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassPrimary amides [FA0801]
PubChem CID10927
HMDB IDHMDB0033870
CHEBI ID50724
InChIKeyDNSISZSEWVHGLH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
SMILESC(C(N)=O)CC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms6Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
94.91Topological Polar
Surface Area
43.09Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP0.27Molar
Refractivity
24.10