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

C11H19NO2 — CID 43652748

IUPAC2,2-dimethyl-N-(4-oxocyclohexyl)propanamide
SMILESCC(C)(C)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(14)12-8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyWQBCEFNNFJDTIJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.66
Rot. Bonds1

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

2,2-dimethyl-N-(4-oxocyclohexyl)propanamide (PubChem CID 43652748) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-oxocyclohexyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-oxocyclohexyl)propanamide
PubChem CID43652748
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2,2-dimethyl-N-(4-oxocyclohexyl)propanamide
SMILESCC(C)(C)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(14)12-8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyWQBCEFNNFJDTIJ-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.66
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)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-oxocyclohexyl)propanamide (CID 43652748) is 2,2-dimethyl-N-(4-oxocyclohexyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-oxocyclohexyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-oxocyclohexyl)propanamide is CC(C)(C)C(=O)NC1CCC(=O)CC1.
What is the InChIKey of 2,2-dimethyl-N-(4-oxocyclohexyl)propanamide?
The InChIKey is WQBCEFNNFJDTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)10(14)12-8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 2,2-dimethyl-N-(4-oxocyclohexyl)propanamide?
2,2-dimethyl-N-(4-oxocyclohexyl)propanamide has a molecular weight of 197.28 g/mol, XLogP of 1.66, 1 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)propanamide is sourced from PubChem (CID 43652748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).