3-methylbutanamide

C10H22N2O2 — CID 87933309

IUPAC3-methylbutanamide
SMILESCC(C)CC(N)=O.CC(C)CC(N)=O
InChIInChI=1S/2C5H11NO/c2*1-4(2)3-5(6)7/h2*4H,3H2,1-2H3,(H2,6,7)
InChIKeyJOMXMHVFDNYEHI-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.04
Rot. Bonds4

About 3-methylbutanamide

3-methylbutanamide (PubChem CID 87933309) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-methylbutanamide.

Molecular Properties

Compound Name3-methylbutanamide
PubChem CID87933309
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-methylbutanamide
SMILESCC(C)CC(N)=O.CC(C)CC(N)=O
InChIInChI=1S/2C5H11NO/c2*1-4(2)3-5(6)7/h2*4H,3H2,1-2H3,(H2,6,7)
InChIKeyJOMXMHVFDNYEHI-UHFFFAOYSA-N
XLogP1.04
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylbutanamide;propanal
CID 145275365
5-methyl-3-oxohexanamide
CID 140847068
5-methyl-3-(2-methylpropyl)hexanamide
CID 87709322
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
3-hydroxy-4,5-dimethylhexanamide
CID 89154230
(2R)-2-(2-methylpropyl)butanediamide
CID 22942178
3-methoxy-3-methylbutan-1-ol;3-methylbutanamide
CID 170646143
4-hydroxy-3-methylpentanamide
CID 21402958
3-(2-methylpropoxy)butanamide
CID 137379799
3-(2-methylpropylamino)butanamide
CID 90751378
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
CID 178036338
CID 178036338

Frequently Asked Questions

What is the IUPAC name of 3-methylbutanamide?
The IUPAC name of 3-methylbutanamide (CID 87933309) is 3-methylbutanamide.
What is the SMILES notation for 3-methylbutanamide?
The canonical SMILES for 3-methylbutanamide is CC(C)CC(N)=O.CC(C)CC(N)=O.
What is the InChIKey of 3-methylbutanamide?
The InChIKey is JOMXMHVFDNYEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO/c2*1-4(2)3-5(6)7/h2*4H,3H2,1-2H3,(H2,6,7).
What are the key properties of 3-methylbutanamide?
3-methylbutanamide has a molecular weight of 202.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutanamide is sourced from PubChem (CID 87933309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).