N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide

C13H23NO2 — CID 58356113

IUPACN-(4-acetylcyclohexyl)-2,2-dimethylpropanamide
SMILESCC(=O)C1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H23NO2/c1-9(15)10-5-7-11(8-6-10)14-12(16)13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyGZLJSHAYTDXNCK-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.30
Rot. Bonds2

About N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide

N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide (PubChem CID 58356113) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-acetylcyclohexyl)-2,2-dimethylpropanamide
PubChem CID58356113
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(4-acetylcyclohexyl)-2,2-dimethylpropanamide
SMILESCC(=O)C1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H23NO2/c1-9(15)10-5-7-11(8-6-10)14-12(16)13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyGZLJSHAYTDXNCK-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 58356146
N-cyclobutyl-2,2-dimethylpropanamide
CID 21051515
1-(4-acetylcyclohexyl)-3-methylurea
CID 58664366
2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide
CID 7412128
2,2-dimethyl-N-(4-methylcycloheptyl)propanamide
CID 102795217
N-(3-hydroxycyclopentyl)-2,2-dimethylpropanamide
CID 147180484
N-(3-fluorocyclopentyl)-2,2-dimethylpropanamide
CID 126992134
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropanamide
CID 61237375
[4-(2,2-dimethylpropanoylamino)cyclohexyl] nitrate
CID 15683547
N-(azetidin-3-yl)-2,2-dimethylpropanamide
CID 58468718
N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 58356090
N-(3-methoxycyclobutyl)-2,2-dimethylpropanamide
CID 104578372

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide (CID 58356113) is N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide is CC(=O)C1CCC(NC(=O)C(C)(C)C)CC1.
What is the InChIKey of N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide?
The InChIKey is GZLJSHAYTDXNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(15)10-5-7-11(8-6-10)14-12(16)13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide?
N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide has a molecular weight of 225.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 58356113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).