2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

C14H21NO4 — CID 106353093

IUPAC2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H21NO4/c1-14(2,3)12(6-7-16)15-13(19)10-8-9(17)4-5-11(10)18/h4-5,8,12,16-18H,6-7H2,1-3H3,(H,15,19)
InChIKeyORXZBCOXWJCGKN-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.62
Rot. Bonds4

About 2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 106353093) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
PubChem CID106353093
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H21NO4/c1-14(2,3)12(6-7-16)15-13(19)10-8-9(17)4-5-11(10)18/h4-5,8,12,16-18H,6-7H2,1-3H3,(H,15,19)
InChIKeyORXZBCOXWJCGKN-UHFFFAOYSA-N
XLogP1.62
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353165
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106356090
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
CID 106356974
2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide
CID 10692135
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
CID 97339820
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-sulfanylbenzamide
CID 106357978

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (CID 106353093) is 2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is CC(C)(C)C(CCO)NC(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is ORXZBCOXWJCGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)12(6-7-16)15-13(19)10-8-9(17)4-5-11(10)18/h4-5,8,12,16-18H,6-7H2,1-3H3,(H,15,19).
What are the key properties of 2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 267.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 106353093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).