3,3-dimethyl-N-(4-oxocyclohexyl)butanamide

C12H21NO2 — CID 43652772

IUPAC3,3-dimethyl-N-(4-oxocyclohexyl)butanamide
SMILESCC(C)(C)CC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)8-11(15)13-9-4-6-10(14)7-5-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyBXCSIVLKIILJSH-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.05
Rot. Bonds2

About 3,3-dimethyl-N-(4-oxocyclohexyl)butanamide

3,3-dimethyl-N-(4-oxocyclohexyl)butanamide (PubChem CID 43652772) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-(4-oxocyclohexyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(4-oxocyclohexyl)butanamide
PubChem CID43652772
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3,3-dimethyl-N-(4-oxocyclohexyl)butanamide
SMILESCC(C)(C)CC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)8-11(15)13-9-4-6-10(14)7-5-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyBXCSIVLKIILJSH-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

N-(4-Oxocyclohexyl)acetamide
CID 538565
2,2-dimethyl-N-(4-oxocyclohexyl)propanamide
CID 43652748
N-cyclohexyl-3,3-dimethylbutanamide
CID 343763
Hexanamide, N-cyclohexyl
CID 280983
Butanamide, N-cyclohexyl-2,2-dimethyl-
CID 4473847
N-acetyl-aminocyclohexanone
CID 12217020
N-(5-oxohexan-2-yl)acetamide
CID 21343386
2-Methyl-N-(4-oxocyclohexyl)propanamide
CID 21533994
N-cyclohexyl-3-methyl-2-oxobutanamide
CID 121218159
N-(4-cyclohexyl-4-oxobutyl)-2,2-dimethylpropanamide
CID 15883432
2-ethyl-N-(4-oxocyclohexyl)butanamide
CID 43652798
2,2-dimethyl-N-(4-oxocyclohexyl)butanamide
CID 62678431

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(4-oxocyclohexyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(4-oxocyclohexyl)butanamide (CID 43652772) is 3,3-dimethyl-N-(4-oxocyclohexyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(4-oxocyclohexyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(4-oxocyclohexyl)butanamide is CC(C)(C)CC(=O)NC1CCC(=O)CC1.
What is the InChIKey of 3,3-dimethyl-N-(4-oxocyclohexyl)butanamide?
The InChIKey is BXCSIVLKIILJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)8-11(15)13-9-4-6-10(14)7-5-9/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 3,3-dimethyl-N-(4-oxocyclohexyl)butanamide?
3,3-dimethyl-N-(4-oxocyclohexyl)butanamide has a molecular weight of 211.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(4-oxocyclohexyl)butanamide is sourced from PubChem (CID 43652772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).