N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide

C22H28N2O2 — CID 1020604

IUPACN'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide
SMILESCCc1ccc(C(=O)NN(C(=O)c2ccc(CC)cc2)C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-6-16-8-12-18(13-9-16)20(25)23-24(22(3,4)5)21(26)19-14-10-17(7-2)11-15-19/h8-15H,6-7H2,1-5H3,(H,23,25)
InChIKeyXXCJQLZRJFKAIW-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.40
Rot. Bonds4

About N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide

N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide (PubChem CID 1020604) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide
PubChem CID1020604
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide
SMILESCCc1ccc(C(=O)NN(C(=O)c2ccc(CC)cc2)C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-6-16-8-12-18(13-9-16)20(25)23-24(22(3,4)5)21(26)19-14-10-17(7-2)11-15-19/h8-15H,6-7H2,1-5H3,(H,23,25)
InChIKeyXXCJQLZRJFKAIW-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tebufenozide
CID 91773
Halofenozide
CID 114994
Benzoic acid, 2-benzoylhydrazide
CID 13085
p-Toluohydrazide
CID 77174
1,2-Dibenzoyl-1-(tert-butyl)hydrazine
CID 86307
Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide
CID 123513
N'-(4-acetylbenzoyl)-N-tert-butyl-3,5-dimethylbenzohydrazide
CID 101920483
HDAC3 Inhibitor
CID 137700029
N',N'-dibutylbenzohydrazide
CID 1721008
p-Phenylbenzhydrazide
CID 72718
1,2-Dibenzoyl-1-methylhydrazine
CID 314938
[1,1'-Biphenyl]-4-carboxamide, 4'-pentyl-
CID 105479

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide?
The IUPAC name of N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide (CID 1020604) is N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide.
What is the SMILES notation for N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide?
The canonical SMILES for N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide is CCc1ccc(C(=O)NN(C(=O)c2ccc(CC)cc2)C(C)(C)C)cc1.
What is the InChIKey of N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide?
The InChIKey is XXCJQLZRJFKAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-6-16-8-12-18(13-9-16)20(25)23-24(22(3,4)5)21(26)19-14-10-17(7-2)11-15-19/h8-15H,6-7H2,1-5H3,(H,23,25).
What are the key properties of N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide?
N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide has a molecular weight of 352.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-ethyl-N'-(4-ethylbenzoyl)benzohydrazide is sourced from PubChem (CID 1020604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).