N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide

C17H25NO — CID 112817281

IUPACN-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2C(C)CCCC2C)c1
InChIInChI=1S/C17H25NO/c1-11-8-9-12(2)15(10-11)17(19)18-16-13(3)6-5-7-14(16)4/h8-10,13-14,16H,5-7H2,1-4H3,(H,18,19)
InChIKeyJOYBCVTYXQFGJL-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.86
Rot. Bonds2

About N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide

N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide (PubChem CID 112817281) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide
PubChem CID112817281
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2C(C)CCCC2C)c1
InChIInChI=1S/C17H25NO/c1-11-8-9-12(2)15(10-11)17(19)18-16-13(3)6-5-7-14(16)4/h8-10,13-14,16H,5-7H2,1-4H3,(H,18,19)
InChIKeyJOYBCVTYXQFGJL-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide (CID 112817281) is N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC2C(C)CCCC2C)c1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide?
The InChIKey is JOYBCVTYXQFGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-8-9-12(2)15(10-11)17(19)18-16-13(3)6-5-7-14(16)4/h8-10,13-14,16H,5-7H2,1-4H3,(H,18,19).
What are the key properties of N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide?
N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide has a molecular weight of 259.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 112817281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).