3,3-dimethyl-N-(2-oxobutyl)butanamide

C10H19NO2 — CID 149102417

IUPAC3,3-dimethyl-N-(2-oxobutyl)butanamide
SMILESCCC(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-8(12)7-11-9(13)6-10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyQUWXNYQVEMINJN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.52
Rot. Bonds4

About 3,3-dimethyl-N-(2-oxobutyl)butanamide

3,3-dimethyl-N-(2-oxobutyl)butanamide (PubChem CID 149102417) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-oxobutyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-oxobutyl)butanamide
PubChem CID149102417
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3,3-dimethyl-N-(2-oxobutyl)butanamide
SMILESCCC(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-8(12)7-11-9(13)6-10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyQUWXNYQVEMINJN-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
CID 148872040
3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide
CID 51091817
2-(methylamino)-N-[2-oxo-2-(2-oxobutylamino)ethyl]acetamide
CID 175620098
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 110902978
2-oxobutylcarbamic acid
CID 87278919
2-oxo-N-(2-oxobutyl)acetamide
CID 22335308
2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]propanoic acid
CID 119225652
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]amino]ethyl]-2-(propan-2-ylamino)acetamide
CID 163498678
N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide
CID 59184455
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 119583327

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-oxobutyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-oxobutyl)butanamide (CID 149102417) is 3,3-dimethyl-N-(2-oxobutyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-oxobutyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-oxobutyl)butanamide is CCC(=O)CNC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-oxobutyl)butanamide?
The InChIKey is QUWXNYQVEMINJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-8(12)7-11-9(13)6-10(2,3)4/h5-7H2,1-4H3,(H,11,13).
What are the key properties of 3,3-dimethyl-N-(2-oxobutyl)butanamide?
3,3-dimethyl-N-(2-oxobutyl)butanamide has a molecular weight of 185.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-oxobutyl)butanamide is sourced from PubChem (CID 149102417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).