2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide

C13H17NO4 — CID 114108164

IUPAC2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
SMILESCC1CC(NC(=O)c2cc(O)ccc2O)CCO1
InChIInChI=1S/C13H17NO4/c1-8-6-9(4-5-18-8)14-13(17)11-7-10(15)2-3-12(11)16/h2-3,7-9,15-16H,4-6H2,1H3,(H,14,17)
InChIKeyXJRYZPJDXVUBAE-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.40
Rot. Bonds2

About 2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide

2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide (PubChem CID 114108164) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
PubChem CID114108164
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
SMILESCC1CC(NC(=O)c2cc(O)ccc2O)CCO1
InChIInChI=1S/C13H17NO4/c1-8-6-9(4-5-18-8)14-13(17)11-7-10(15)2-3-12(11)16/h2-3,7-9,15-16H,4-6H2,1H3,(H,14,17)
InChIKeyXJRYZPJDXVUBAE-UHFFFAOYSA-N
XLogP1.40
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide
CID 107723891
4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 113346668
N-(3,5-dimethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723193
4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103890717
N-(3-ethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723198
2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide
CID 107721922
2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380
3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107036
3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113346376
2-amino-N-(2-methyloxan-4-yl)-5-nitrobenzamide
CID 102977113
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide (CID 114108164) is 2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide is CC1CC(NC(=O)c2cc(O)ccc2O)CCO1.
What is the InChIKey of 2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide?
The InChIKey is XJRYZPJDXVUBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8-6-9(4-5-18-8)14-13(17)11-7-10(15)2-3-12(11)16/h2-3,7-9,15-16H,4-6H2,1H3,(H,14,17).
What are the key properties of 2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide?
2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide has a molecular weight of 251.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide is sourced from PubChem (CID 114108164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).