2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide

C16H23NO3 — CID 107722644

IUPAC2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(NC(=O)c2cc(O)ccc2O)CC1
InChIInChI=1S/C16H23NO3/c1-2-3-11-4-6-12(7-5-11)17-16(20)14-10-13(18)8-9-15(14)19/h8-12,18-19H,2-7H2,1H3,(H,17,20)
InChIKeyYXFXOJHSHGEHAJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.19
Rot. Bonds4

About 2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide

2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide (PubChem CID 107722644) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide
PubChem CID107722644
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(NC(=O)c2cc(O)ccc2O)CC1
InChIInChI=1S/C16H23NO3/c1-2-3-11-4-6-12(7-5-11)17-16(20)14-10-13(18)8-9-15(14)19/h8-12,18-19H,2-7H2,1H3,(H,17,20)
InChIKeyYXFXOJHSHGEHAJ-UHFFFAOYSA-N
XLogP3.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 114344117
2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide
CID 107723891
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
N-(3-ethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723198
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
4-bromo-N-(4-propylcyclohexyl)-2-sulfanylbenzamide
CID 107025667
2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide
CID 107721922
N-(3,5-dimethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723193
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
N-[4-(ethylamino)cyclohexyl]-2-hydroxy-5-methylbenzamide
CID 43653300
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide (CID 107722644) is 2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide is CCCC1CCC(NC(=O)c2cc(O)ccc2O)CC1.
What is the InChIKey of 2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide?
The InChIKey is YXFXOJHSHGEHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-11-4-6-12(7-5-11)17-16(20)14-10-13(18)8-9-15(14)19/h8-12,18-19H,2-7H2,1H3,(H,17,20).
What are the key properties of 2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide?
2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide has a molecular weight of 277.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide is sourced from PubChem (CID 107722644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).