2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

C12H17NO5 — CID 114150801

IUPAC2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
SMILESCOCC(CCO)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H17NO5/c1-18-7-8(4-5-14)13-12(17)10-6-9(15)2-3-11(10)16/h2-3,6,8,14-16H,4-5,7H2,1H3,(H,13,17)
InChIKeyZESOFXBHXMTKNO-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.22
Rot. Bonds6

About 2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide (PubChem CID 114150801) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
PubChem CID114150801
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
SMILESCOCC(CCO)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H17NO5/c1-18-7-8(4-5-14)13-12(17)10-6-9(15)2-3-11(10)16/h2-3,6,8,14-16H,4-5,7H2,1H3,(H,13,17)
InChIKeyZESOFXBHXMTKNO-UHFFFAOYSA-N
XLogP0.22
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106153598
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide
CID 107075408
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103862917
N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 114150752
N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 106156181
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide
CID 106155756
2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353093
N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 106180071
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide
CID 106153883
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide
CID 103799326

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide (CID 114150801) is 2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide is COCC(CCO)NC(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The InChIKey is ZESOFXBHXMTKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-18-7-8(4-5-14)13-12(17)10-6-9(15)2-3-11(10)16/h2-3,6,8,14-16H,4-5,7H2,1H3,(H,13,17).
What are the key properties of 2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide has a molecular weight of 255.27 g/mol, XLogP of 0.22, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 114150801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).