2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide

C16H23NO3 — CID 107689521

IUPAC2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
SMILESCC(C)C1CCCCC1NC(=O)c1c(O)cccc1O
InChIInChI=1S/C16H23NO3/c1-10(2)11-6-3-4-7-12(11)17-16(20)15-13(18)8-5-9-14(15)19/h5,8-12,18-19H,3-4,6-7H2,1-2H3,(H,17,20)
InChIKeyZMVXYGGCRATDNP-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.04
Rot. Bonds3

About 2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide

2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide (PubChem CID 107689521) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
PubChem CID107689521
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
SMILESCC(C)C1CCCCC1NC(=O)c1c(O)cccc1O
InChIInChI=1S/C16H23NO3/c1-10(2)11-6-3-4-7-12(11)17-16(20)15-13(18)8-5-9-14(15)19/h5,8-12,18-19H,3-4,6-7H2,1-2H3,(H,17,20)
InChIKeyZMVXYGGCRATDNP-UHFFFAOYSA-N
XLogP3.04
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-hydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107676775
2-fluoro-6-hydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 104920401
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104917753
2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
CID 6932663
2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide
CID 107033555
4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide
CID 82813808
3-(methylamino)-N-(2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 105070917
4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride
CID 119775791
3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide
CID 107033557
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide
CID 124864793

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide?
The IUPAC name of 2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide (CID 107689521) is 2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide?
The canonical SMILES for 2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide is CC(C)C1CCCCC1NC(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide?
The InChIKey is ZMVXYGGCRATDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(2)11-6-3-4-7-12(11)17-16(20)15-13(18)8-5-9-14(15)19/h5,8-12,18-19H,3-4,6-7H2,1-2H3,(H,17,20).
What are the key properties of 2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide?
2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide has a molecular weight of 277.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide is sourced from PubChem (CID 107689521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).