N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide

C13H23NO2 — CID 117060178

IUPACN-(1-acetylcyclohexyl)-2,2-dimethylpropanamide
SMILESCC(=O)C1(NC(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C13H23NO2/c1-10(15)13(8-6-5-7-9-13)14-11(16)12(2,3)4/h5-9H2,1-4H3,(H,14,16)
InChIKeyDCCDCUNLJHZWPE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.44
Rot. Bonds2

About N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide

N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide (PubChem CID 117060178) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-acetylcyclohexyl)-2,2-dimethylpropanamide
PubChem CID117060178
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(1-acetylcyclohexyl)-2,2-dimethylpropanamide
SMILESCC(=O)C1(NC(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C13H23NO2/c1-10(15)13(8-6-5-7-9-13)14-11(16)12(2,3)4/h5-9H2,1-4H3,(H,14,16)
InChIKeyDCCDCUNLJHZWPE-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate
CID 165166779
1-[1-(methylamino)cycloheptyl]ethanone
CID 59493685
N-(1-acetylcyclobutyl)acetamide
CID 59658507
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
CID 60968681
1-[[2-methyl-2-(methylamino)propanoyl]amino]cycloheptane-1-carboxylic acid
CID 62846183
N-(1-ethylcyclopentyl)-2,2-dimethylpropanamide
CID 58542277
N-(1-cyanocyclopentyl)-2,2-dimethylpropanamide
CID 60704873
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 43358914
4-(2,2-dimethylpropanoylamino)oxane-4-carboxylic acid
CID 115291564
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351064
2-[(1-acetylcyclohexyl)amino]acetic acid
CID 22020146
1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid
CID 81161173

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide (CID 117060178) is N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide is CC(=O)C1(NC(=O)C(C)(C)C)CCCCC1.
What is the InChIKey of N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide?
The InChIKey is DCCDCUNLJHZWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(15)13(8-6-5-7-9-13)14-11(16)12(2,3)4/h5-9H2,1-4H3,(H,14,16).
What are the key properties of N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide?
N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide has a molecular weight of 225.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 117060178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).