4-tert-butyl-N-(4-oxocyclohexyl)benzamide

C17H23NO2 — CID 43652861

IUPAC4-tert-butyl-N-(4-oxocyclohexyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCC(=O)CC2)cc1
InChIInChI=1S/C17H23NO2/c1-17(2,3)13-6-4-12(5-7-13)16(20)18-14-8-10-15(19)11-9-14/h4-7,14H,8-11H2,1-3H3,(H,18,20)
InChIKeyZVZRFJPQPQMFOT-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.23
Rot. Bonds2

About 4-tert-butyl-N-(4-oxocyclohexyl)benzamide

4-tert-butyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 43652861) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-oxocyclohexyl)benzamide
PubChem CID43652861
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-tert-butyl-N-(4-oxocyclohexyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCC(=O)CC2)cc1
InChIInChI=1S/C17H23NO2/c1-17(2,3)13-6-4-12(5-7-13)16(20)18-14-8-10-15(19)11-9-14/h4-7,14H,8-11H2,1-3H3,(H,18,20)
InChIKeyZVZRFJPQPQMFOT-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-(4-oxocyclohexyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404
4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide
CID 78387009
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide
CID 47418183

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-oxocyclohexyl)benzamide (CID 43652861) is 4-tert-butyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-oxocyclohexyl)benzamide is CC(C)(C)c1ccc(C(=O)NC2CCC(=O)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is ZVZRFJPQPQMFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,3)13-6-4-12(5-7-13)16(20)18-14-8-10-15(19)11-9-14/h4-7,14H,8-11H2,1-3H3,(H,18,20).
What are the key properties of 4-tert-butyl-N-(4-oxocyclohexyl)benzamide?
4-tert-butyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 273.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 43652861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).