2,2-dimethyl-N-(4-oxocyclohexyl)butanamide

C12H21NO2 — CID 62678431

IUPAC2,2-dimethyl-N-(4-oxocyclohexyl)butanamide
SMILESCCC(C)(C)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H21NO2/c1-4-12(2,3)11(15)13-9-5-7-10(14)8-6-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyWYLFXUJIGLRYAR-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.05
Rot. Bonds3

About 2,2-dimethyl-N-(4-oxocyclohexyl)butanamide

2,2-dimethyl-N-(4-oxocyclohexyl)butanamide (PubChem CID 62678431) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-oxocyclohexyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-oxocyclohexyl)butanamide
PubChem CID62678431
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2,2-dimethyl-N-(4-oxocyclohexyl)butanamide
SMILESCCC(C)(C)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H21NO2/c1-4-12(2,3)11(15)13-9-5-7-10(14)8-6-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyWYLFXUJIGLRYAR-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-oxocyclohexyl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(4-oxocyclohexyl)butanamide (CID 62678431) is 2,2-dimethyl-N-(4-oxocyclohexyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-oxocyclohexyl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-oxocyclohexyl)butanamide is CCC(C)(C)C(=O)NC1CCC(=O)CC1.
What is the InChIKey of 2,2-dimethyl-N-(4-oxocyclohexyl)butanamide?
The InChIKey is WYLFXUJIGLRYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-12(2,3)11(15)13-9-5-7-10(14)8-6-9/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 2,2-dimethyl-N-(4-oxocyclohexyl)butanamide?
2,2-dimethyl-N-(4-oxocyclohexyl)butanamide has a molecular weight of 211.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-oxocyclohexyl)butanamide is sourced from PubChem (CID 62678431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).