N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide

C14H22N2O3 — CID 107725269

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H22N2O3/c1-9(2)7-14(3,8-15)16-13(19)11-6-10(17)4-5-12(11)18/h4-6,9,17-18H,7-8,15H2,1-3H3,(H,16,19)
InChIKeyYXMWZWHCDWTAIQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.59
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide (PubChem CID 107725269) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide
PubChem CID107725269
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H22N2O3/c1-9(2)7-14(3,8-15)16-13(19)11-6-10(17)4-5-12(11)18/h4-6,9,17-18H,7-8,15H2,1-3H3,(H,16,19)
InChIKeyYXMWZWHCDWTAIQ-UHFFFAOYSA-N
XLogP1.59
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.59
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

N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872338
N-(1-amino-2,4-dimethylpentan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 115309726
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115309822
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4-dibromobenzamide
CID 107940162
N-(1-amino-2,4-dimethylpentan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103807191
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide
CID 103807187
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
CID 119598613
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide
CID 103807196
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119599263

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide (CID 107725269) is N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide is CC(C)CC(C)(CN)NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide?
The InChIKey is YXMWZWHCDWTAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)7-14(3,8-15)16-13(19)11-6-10(17)4-5-12(11)18/h4-6,9,17-18H,7-8,15H2,1-3H3,(H,16,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107725269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).