4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide

C18H26N2O2 — CID 823623

IUPAC4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)15-11-9-14(10-12-15)17(22)20-19-16(21)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyASEYPLZJSGYSST-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.33
Rot. Bonds2

About 4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide

4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide (PubChem CID 823623) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide
PubChem CID823623
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)15-11-9-14(10-12-15)17(22)20-19-16(21)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyASEYPLZJSGYSST-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide (CID 823623) is 4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)C2CCCCC2)cc1.
What is the InChIKey of 4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide?
The InChIKey is ASEYPLZJSGYSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)15-11-9-14(10-12-15)17(22)20-19-16(21)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide?
4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide has a molecular weight of 302.42 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-(cyclohexanecarbonyl)benzohydrazide is sourced from PubChem (CID 823623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).