N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide

C12H14N2O3 — CID 107721985

IUPACN-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide
SMILESCCC(C)(C#N)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H14N2O3/c1-3-12(2,7-13)14-11(17)9-6-8(15)4-5-10(9)16/h4-6,15-16H,3H2,1-2H3,(H,14,17)
InChIKeyRCFPROIZIMEQAO-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.52
Rot. Bonds3

About N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide

N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide (PubChem CID 107721985) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide
PubChem CID107721985
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide
SMILESCCC(C)(C#N)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H14N2O3/c1-3-12(2,7-13)14-11(17)9-6-8(15)4-5-10(9)16/h4-6,15-16H,3H2,1-2H3,(H,14,17)
InChIKeyRCFPROIZIMEQAO-UHFFFAOYSA-N
XLogP1.52
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2-cyanobutan-2-yl)-2-hydroxybenzamide
CID 113339798
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510
N-(cyanomethyl)-2,5-dihydroxybenzamide
CID 103892329
N-(2-cyanobutan-2-yl)-2-fluoro-5-methylbenzamide
CID 62514306
N-(2-cyanobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 61120957
N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61119582
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide
CID 107725269
N-(2-cyanobutan-2-yl)-4-ethylbenzamide
CID 51089526
N-(2-cyanobutan-2-yl)-3-methylbenzamide
CID 51089539
3,4-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089519
N-(2-cyanobutan-2-yl)-5-fluoro-2-nitrobenzamide
CID 61119021
3-chloro-N-(2-cyanobutan-2-yl)-2-fluorobenzamide
CID 80998996

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide (CID 107721985) is N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide is CCC(C)(C#N)NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide?
The InChIKey is RCFPROIZIMEQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-12(2,7-13)14-11(17)9-6-8(15)4-5-10(9)16/h4-6,15-16H,3H2,1-2H3,(H,14,17).
What are the key properties of N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide?
N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide has a molecular weight of 234.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107721985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).