4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide

C16H26N2O — CID 116843609

IUPAC4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCCC(=O)NN
InChIInChI=1S/C16H26N2O/c1-11-9-13(16(3,4)5)10-12(2)14(11)7-6-8-15(19)18-17/h9-10H,6-8,17H2,1-5H3,(H,18,19)
InChIKeyDVOATESGRKYSER-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.91
Rot. Bonds4

About 4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide

4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide (PubChem CID 116843609) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide.

Molecular Properties

Compound Name4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide
PubChem CID116843609
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCCC(=O)NN
InChIInChI=1S/C16H26N2O/c1-11-9-13(16(3,4)5)10-12(2)14(11)7-6-8-15(19)18-17/h9-10H,6-8,17H2,1-5H3,(H,18,19)
InChIKeyDVOATESGRKYSER-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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3-Phenylpropanehydrazide
CID 249348
3-(Phenanthren-3-yl)propanehydrazide
CID 219939
N'-(2-phenylacetyl)octanehydrazide
CID 2166777
2,2-Diphenylcyclopropanecarbohydrazide
CID 2828484
N'-(2,2-dimethylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide
CID 3806045
2-(4-Methylphenyl)cyclopropanecarbohydrazide
CID 4411497
2-(4-Isobutylphenyl)propanohydrazide
CID 2736674
2-Phenylbutanohydrazide
CID 346716
2-Methyl-2-phenylpropanehydrazide
CID 348636

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide?
The IUPAC name of 4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide (CID 116843609) is 4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide.
What is the SMILES notation for 4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide?
The canonical SMILES for 4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide is Cc1cc(C(C)(C)C)cc(C)c1CCCC(=O)NN.
What is the InChIKey of 4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide?
The InChIKey is DVOATESGRKYSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-9-13(16(3,4)5)10-12(2)14(11)7-6-8-15(19)18-17/h9-10H,6-8,17H2,1-5H3,(H,18,19).
What are the key properties of 4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide?
4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide has a molecular weight of 262.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide is sourced from PubChem (CID 116843609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).