4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide

C17H23NO2 — CID 126843777

IUPAC4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
SMILESCC(=O)c1ccc(C(=O)NC2CCCC(C)C2C)cc1
InChIInChI=1S/C17H23NO2/c1-11-5-4-6-16(12(11)2)18-17(20)15-9-7-14(8-10-15)13(3)19/h7-12,16H,4-6H2,1-3H3,(H,18,20)
InChIKeyOLKDAUSGJSEBNZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.44
Rot. Bonds3

About 4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide

4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide (PubChem CID 126843777) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
PubChem CID126843777
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
SMILESCC(=O)c1ccc(C(=O)NC2CCCC(C)C2C)cc1
InChIInChI=1S/C17H23NO2/c1-11-5-4-6-16(12(11)2)18-17(20)15-9-7-14(8-10-15)13(3)19/h7-12,16H,4-6H2,1-3H3,(H,18,20)
InChIKeyOLKDAUSGJSEBNZ-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
CID 59811280
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
CID 26797148
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide
CID 66463063
N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55349610

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide?
The IUPAC name of 4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide (CID 126843777) is 4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide?
The canonical SMILES for 4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide is CC(=O)c1ccc(C(=O)NC2CCCC(C)C2C)cc1.
What is the InChIKey of 4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide?
The InChIKey is OLKDAUSGJSEBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-5-4-6-16(12(11)2)18-17(20)15-9-7-14(8-10-15)13(3)19/h7-12,16H,4-6H2,1-3H3,(H,18,20).
What are the key properties of 4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide?
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide has a molecular weight of 273.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 126843777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).