4-hydroxy-N,N-dimethylbutanamide

C6H13NO2 — CID 13000816

IUPAC4-hydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCO
InChIInChI=1S/C6H13NO2/c1-7(2)6(9)4-3-5-8/h8H,3-5H2,1-2H3
InChIKeyWIKMJRHPNGPQRH-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.15
Rot. Bonds3

About 4-hydroxy-N,N-dimethylbutanamide

4-hydroxy-N,N-dimethylbutanamide (PubChem CID 13000816) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-hydroxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-hydroxy-N,N-dimethylbutanamide
PubChem CID13000816
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name4-hydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCO
InChIInChI=1S/C6H13NO2/c1-7(2)6(9)4-3-5-8/h8H,3-5H2,1-2H3
InChIKeyWIKMJRHPNGPQRH-UHFFFAOYSA-N
XLogP-0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-methoxy-N-methylbutanamide
CID 370774
Butanamide, 4-hydroxy-N-methyl-
CID 169986
4-methoxy-N,N-dimethylbutanamide
CID 11228870
Butanamide, 4-hydroxy-N-(2-hydroxyethyl)-N-methyl-
CID 106524
4-Hydroxy-N,N-dimethylpentanamide
CID 12331154
(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543133
(2R)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543379
2-Fluoro-4-hydroxy-N-methoxy-N-methylbutanamide
CID 172166479
3-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 122239592
3-fluoro-4-hydroxy-3-(hydroxymethyl)-N,N-dimethylbutanamide
CID 122239597
(3R)-3-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 129562633
(3S)-3-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 129562635

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-dimethylbutanamide?
The IUPAC name of 4-hydroxy-N,N-dimethylbutanamide (CID 13000816) is 4-hydroxy-N,N-dimethylbutanamide.
What is the SMILES notation for 4-hydroxy-N,N-dimethylbutanamide?
The canonical SMILES for 4-hydroxy-N,N-dimethylbutanamide is CN(C)C(=O)CCCO.
What is the InChIKey of 4-hydroxy-N,N-dimethylbutanamide?
The InChIKey is WIKMJRHPNGPQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7(2)6(9)4-3-5-8/h8H,3-5H2,1-2H3.
What are the key properties of 4-hydroxy-N,N-dimethylbutanamide?
4-hydroxy-N,N-dimethylbutanamide has a molecular weight of 131.18 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-dimethylbutanamide is sourced from PubChem (CID 13000816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).