N-(4-tert-butyl-4-methylcyclohexyl)acetamide

C13H25NO — CID 165385761

IUPACN-(4-tert-butyl-4-methylcyclohexyl)acetamide
SMILESCC(=O)NC1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-10(15)14-11-6-8-13(5,9-7-11)12(2,3)4/h11H,6-9H2,1-5H3,(H,14,15)
InChIKeyMAOKCPCJGNPLAP-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.12
Rot. Bonds1

About N-(4-tert-butyl-4-methylcyclohexyl)acetamide

N-(4-tert-butyl-4-methylcyclohexyl)acetamide (PubChem CID 165385761) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(4-tert-butyl-4-methylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-4-methylcyclohexyl)acetamide
PubChem CID165385761
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(4-tert-butyl-4-methylcyclohexyl)acetamide
SMILESCC(=O)NC1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-10(15)14-11-6-8-13(5,9-7-11)12(2,3)4/h11H,6-9H2,1-5H3,(H,14,15)
InChIKeyMAOKCPCJGNPLAP-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4,4-dimethylcyclohexyl)acetamide;hydrochloride
CID 156735738
N-(4-ethyl-4-hydroxycyclohexyl)acetamide
CID 131153835
N-(3,3,6,6-tetramethylcycloheptyl)acetamide
CID 142825671
N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide
CID 58834298
N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
2,2-dimethylpropane;N-[4-(2-methylpropyl)cyclohexyl]acetamide
CID 143679786
N-(3-hydroxy-3-methylcyclohexyl)acetamide
CID 139373491
N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]acetamide
CID 162469361
N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide
CID 166826160
N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide
CID 139573847
N-(5-acetamido-3,3-dimethylcyclohexyl)acetamide
CID 23292846
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-4-methylcyclohexyl)acetamide?
The IUPAC name of N-(4-tert-butyl-4-methylcyclohexyl)acetamide (CID 165385761) is N-(4-tert-butyl-4-methylcyclohexyl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-4-methylcyclohexyl)acetamide?
The canonical SMILES for N-(4-tert-butyl-4-methylcyclohexyl)acetamide is CC(=O)NC1CCC(C)(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butyl-4-methylcyclohexyl)acetamide?
The InChIKey is MAOKCPCJGNPLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(15)14-11-6-8-13(5,9-7-11)12(2,3)4/h11H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(4-tert-butyl-4-methylcyclohexyl)acetamide?
N-(4-tert-butyl-4-methylcyclohexyl)acetamide has a molecular weight of 211.35 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-4-methylcyclohexyl)acetamide is sourced from PubChem (CID 165385761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).