4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

C18H27NO2 — CID 107676803

IUPAC4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCc1cc(C(=O)NC2CC(C)(C)CC(C)(C)C2)ccc1O
InChIInChI=1S/C18H27NO2/c1-12-8-13(6-7-15(12)20)16(21)19-14-9-17(2,3)11-18(4,5)10-14/h6-8,14,20H,9-11H2,1-5H3,(H,19,21)
InChIKeyKWUWZWWTAHTFMM-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.04
Rot. Bonds2

About 4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (PubChem CID 107676803) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
PubChem CID107676803
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCc1cc(C(=O)NC2CC(C)(C)CC(C)(C)C2)ccc1O
InChIInChI=1S/C18H27NO2/c1-12-8-13(6-7-15(12)20)16(21)19-14-9-17(2,3)11-18(4,5)10-14/h6-8,14,20H,9-11H2,1-5H3,(H,19,21)
InChIKeyKWUWZWWTAHTFMM-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopent-3-en-1-yl-4-hydroxy-3-methylbenzamide
CID 103957515
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965109
4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107034256
4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 102852021
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-hydroxy-3-methylbenzamide
CID 107675666
N-(3,3-dimethylcyclopentyl)-3-methyl-4-(methylamino)benzamide
CID 114540797
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674
N-(3,3-dimethylcyclopentyl)-4-methyl-3-sulfamoylbenzamide
CID 115880894
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (CID 107676803) is 4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is Cc1cc(C(=O)NC2CC(C)(C)CC(C)(C)C2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The InChIKey is KWUWZWWTAHTFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-8-13(6-7-15(12)20)16(21)19-14-9-17(2,3)11-18(4,5)10-14/h6-8,14,20H,9-11H2,1-5H3,(H,19,21).
What are the key properties of 4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide has a molecular weight of 289.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is sourced from PubChem (CID 107676803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).