N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide

C16H23NO3 — CID 79877931

IUPACN-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2(C)C)c(O)c1
InChIInChI=1S/C16H23NO3/c1-16(2)9-5-4-6-14(16)17-15(19)12-8-7-11(20-3)10-13(12)18/h7-8,10,14,18H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyNYKBVISVFXISDF-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.10
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide

N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide (PubChem CID 79877931) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide
PubChem CID79877931
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2(C)C)c(O)c1
InChIInChI=1S/C16H23NO3/c1-16(2)9-5-4-6-14(16)17-15(19)12-8-7-11(20-3)10-13(12)18/h7-8,10,14,18H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyNYKBVISVFXISDF-UHFFFAOYSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765367
4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide
CID 79878094
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
N-(3-amino-2,2-dimethylcyclobutyl)-2-hydroxy-4-methoxybenzamide
CID 114632319
N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
2-hydroxy-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79351166
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
N-(2,2-dimethylcyclohexyl)-3-hydroxypyridine-4-carboxamide
CID 81443518
2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 113346628
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298
2-hydroxy-4-methoxy-N-(3-methylcyclobutyl)benzamide
CID 115671067
N-(2-aminocyclopropyl)-2-hydroxy-4-methoxybenzamide
CID 43593875

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide (CID 79877931) is N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCCC2(C)C)c(O)c1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is NYKBVISVFXISDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2)9-5-4-6-14(16)17-15(19)12-8-7-11(20-3)10-13(12)18/h7-8,10,14,18H,4-6,9H2,1-3H3,(H,17,19).
What are the key properties of N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide?
N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 277.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79877931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).