N,N-dimethyl-4-oxobutanamide

C6H11NO2 — CID 22028205

IUPACN,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC=O
InChIInChI=1S/C6H11NO2/c1-7(2)6(9)4-3-5-8/h5H,3-4H2,1-2H3
InChIKeyOXQZTLTUQUOYQM-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.05
Rot. Bonds3

About N,N-dimethyl-4-oxobutanamide

N,N-dimethyl-4-oxobutanamide (PubChem CID 22028205) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N,N-dimethyl-4-oxobutanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-oxobutanamide
PubChem CID22028205
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC=O
InChIInChI=1S/C6H11NO2/c1-7(2)6(9)4-3-5-8/h5H,3-4H2,1-2H3
InChIKeyOXQZTLTUQUOYQM-UHFFFAOYSA-N
XLogP0.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-4-oxobutanamide
CID 57150213
N-methoxy-N-methyl-4-oxobutanamide
CID 16043543
N-methyl-4-oxobutanamide
CID 20394923
N,N,3-trimethyl-4-oxobutanamide
CID 21339223
N-hydroxy-N-methyl-4-oxobutanamide
CID 53707816
N-ethyl-N-methyl-4-oxobutanamide
CID 53819925
N,N,3,3-tetramethyl-4-oxobutanamide
CID 91424327
N-acetyl-N-methyl-4-oxobutanamide
CID 126595828
N-bromo-N-methyl-4-oxobutanamide
CID 126710455
N-methyl-4-oxo-N-propoxybutanamide
CID 130192100
N-ethoxy-N-methyl-4-oxobutanamide
CID 130192260
N-formyl-N-(4-oxobutyl)butanamide
CID 134173593

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxobutanamide?
The IUPAC name of N,N-dimethyl-4-oxobutanamide (CID 22028205) is N,N-dimethyl-4-oxobutanamide.
What is the SMILES notation for N,N-dimethyl-4-oxobutanamide?
The canonical SMILES for N,N-dimethyl-4-oxobutanamide is CN(C)C(=O)CCC=O.
What is the InChIKey of N,N-dimethyl-4-oxobutanamide?
The InChIKey is OXQZTLTUQUOYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7(2)6(9)4-3-5-8/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-4-oxobutanamide?
N,N-dimethyl-4-oxobutanamide has a molecular weight of 129.16 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxobutanamide is sourced from PubChem (CID 22028205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).