3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide

C17H26N2O — CID 64762636

IUPAC3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC2CC(C)CCC2C)c1
InChIInChI=1S/C17H26N2O/c1-11-5-6-12(2)15(9-11)19-16-10-14(17(20)18-4)8-7-13(16)3/h7-8,10-12,15,19H,5-6,9H2,1-4H3,(H,18,20)
InChIKeyWFDHTOIGSGKVSH-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.59
Rot. Bonds3

About 3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide

3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide (PubChem CID 64762636) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide
PubChem CID64762636
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC2CC(C)CCC2C)c1
InChIInChI=1S/C17H26N2O/c1-11-5-6-12(2)15(9-11)19-16-10-14(17(20)18-4)8-7-13(16)3/h7-8,10-12,15,19H,5-6,9H2,1-4H3,(H,18,20)
InChIKeyWFDHTOIGSGKVSH-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide
CID 28914942
4-[(2,5-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 64761485
3-(cycloheptylamino)-N,4-dimethylbenzamide
CID 43726864
N,3-dimethyl-4-[(2-methylcyclopentyl)amino]benzamide
CID 65044342
N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
CID 64762432
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916
3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 64760719
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
CID 43726870
N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43734886
N-(2,5-dimethylcyclohexyl)-4-methylpyridin-3-amine
CID 64762714
4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline
CID 64773689
4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide
CID 61309173

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide (CID 64762636) is 3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NC2CC(C)CCC2C)c1.
What is the InChIKey of 3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide?
The InChIKey is WFDHTOIGSGKVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11-5-6-12(2)15(9-11)19-16-10-14(17(20)18-4)8-7-13(16)3/h7-8,10-12,15,19H,5-6,9H2,1-4H3,(H,18,20).
What are the key properties of 3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide?
3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 64762636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).