N,3-dimethyl-2-oxobutanamide

C6H11NO2 — CID 55300607

IUPACN,3-dimethyl-2-oxobutanamide
SMILESCNC(=O)C(=O)C(C)C
InChIInChI=1S/C6H11NO2/c1-4(2)5(8)6(9)7-3/h4H,1-3H3,(H,7,9)
InChIKeyOSTNYYFXNXGAQB-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.04
Rot. Bonds2

About N,3-dimethyl-2-oxobutanamide

N,3-dimethyl-2-oxobutanamide (PubChem CID 55300607) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N,3-dimethyl-2-oxobutanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-oxobutanamide
PubChem CID55300607
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN,3-dimethyl-2-oxobutanamide
SMILESCNC(=O)C(=O)C(C)C
InChIInChI=1S/C6H11NO2/c1-4(2)5(8)6(9)7-3/h4H,1-3H3,(H,7,9)
InChIKeyOSTNYYFXNXGAQB-UHFFFAOYSA-N
XLogP-0.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,3-dimethyl-2-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetamide, N-(3-methyl-2-oxobutyl)-
CID 536137
n,n'-Dimethylacetoacetamide
CID 22976857
Butanamide, N,3-dimethyl
CID 528604
N-methyl-2-methylbutanoicamide
CID 59978118
N,2-Dimethylbutanamide
CID 4626972
N,N,3-trimethyl-2-oxobutanamide
CID 12813438
2-keto-3,3,N-trimethyl-butyramide
CID 13355140
N-butyl-3-methyl-2-oxobutanamide
CID 15544419
N,4-dimethyl-2-oxopentanamide
CID 18618423
N-(3-methylbutyl)-2-oxopropanamide
CID 20608727
2-oxo-N-(2-oxopropyl)butanamide
CID 20750672
3-Methyl-1-(methylamino)butan-2-one
CID 22130554

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-oxobutanamide?
The IUPAC name of N,3-dimethyl-2-oxobutanamide (CID 55300607) is N,3-dimethyl-2-oxobutanamide.
What is the SMILES notation for N,3-dimethyl-2-oxobutanamide?
The canonical SMILES for N,3-dimethyl-2-oxobutanamide is CNC(=O)C(=O)C(C)C.
What is the InChIKey of N,3-dimethyl-2-oxobutanamide?
The InChIKey is OSTNYYFXNXGAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(2)5(8)6(9)7-3/h4H,1-3H3,(H,7,9).
What are the key properties of N,3-dimethyl-2-oxobutanamide?
N,3-dimethyl-2-oxobutanamide has a molecular weight of 129.16 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-oxobutanamide is sourced from PubChem (CID 55300607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).