4-methoxy-3-methylbutanamide

C6H13NO2 — CID 18430298

IUPAC4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(N)=O
InChIInChI=1S/C6H13NO2/c1-5(4-9-2)3-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyHQMDVQZBNKYNBL-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.14
Rot. Bonds4

About 4-methoxy-3-methylbutanamide

4-methoxy-3-methylbutanamide (PubChem CID 18430298) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-methoxy-3-methylbutanamide.

Molecular Properties

Compound Name4-methoxy-3-methylbutanamide
PubChem CID18430298
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(N)=O
InChIInChI=1S/C6H13NO2/c1-5(4-9-2)3-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyHQMDVQZBNKYNBL-UHFFFAOYSA-N
XLogP0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxybutanamide
CID 22414177
Methyl 4-amino-3-methyl-4-oxo-butanoate
CID 14784413
4-ethoxy-N-fluoro-2-methylbutanamide
CID 59319960
N-fluoro-4-methoxy-2-methylbutanamide
CID 59324300
4-Hydroxy-3-methylbutanamide
CID 10197668
methyl (3R)-4-amino-3-methyl-4-oxobutanoate
CID 11412451
Methyl 3-carbamoylisobutyrate
CID 11768702
4-Methoxy-2-methylbutanamide
CID 17911000
4-Ethoxybutanamide
CID 19020272
Butanamide,4-hydroxy-N-methyl-
CID 22175060
4-Hydroxy-2,3-dimethylbutanamide
CID 22242529
4-Propoxybutanamide
CID 22414190

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylbutanamide?
The IUPAC name of 4-methoxy-3-methylbutanamide (CID 18430298) is 4-methoxy-3-methylbutanamide.
What is the SMILES notation for 4-methoxy-3-methylbutanamide?
The canonical SMILES for 4-methoxy-3-methylbutanamide is COCC(C)CC(N)=O.
What is the InChIKey of 4-methoxy-3-methylbutanamide?
The InChIKey is HQMDVQZBNKYNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(4-9-2)3-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of 4-methoxy-3-methylbutanamide?
4-methoxy-3-methylbutanamide has a molecular weight of 131.18 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylbutanamide is sourced from PubChem (CID 18430298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).