N'-(4-tert-butylphenyl)benzohydrazide

C17H20N2O — CID 2813094

IUPACN'-(4-tert-butylphenyl)benzohydrazide
SMILESCC(C)(C)c1ccc(NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)14-9-11-15(12-10-14)18-19-16(20)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)
InChIKeyTVERLKCCXPBGCN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.74
Rot. Bonds3

About N'-(4-tert-butylphenyl)benzohydrazide

N'-(4-tert-butylphenyl)benzohydrazide (PubChem CID 2813094) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)benzohydrazide
PubChem CID2813094
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN'-(4-tert-butylphenyl)benzohydrazide
SMILESCC(C)(C)c1ccc(NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)14-9-11-15(12-10-14)18-19-16(20)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)
InChIKeyTVERLKCCXPBGCN-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(4-tert-butylphenyl)benzohydrazide 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

N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945
4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide
CID 2813076
N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide
CID 139914016
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
4-methylsulfonyl-N'-phenylbenzohydrazide
CID 15453816
N-[4-(benzoylcarbamothioylamino)phenyl]-4-tert-butylbenzamide
CID 1348500
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-tert-butylbenzoate
CID 2489555
2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 67684435
(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 57366194
N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide
CID 614192
4-tert-butyl-N'-(2,2-diphenylacetyl)benzohydrazide
CID 3260570

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)benzohydrazide?
The IUPAC name of N'-(4-tert-butylphenyl)benzohydrazide (CID 2813094) is N'-(4-tert-butylphenyl)benzohydrazide.
What is the SMILES notation for N'-(4-tert-butylphenyl)benzohydrazide?
The canonical SMILES for N'-(4-tert-butylphenyl)benzohydrazide is CC(C)(C)c1ccc(NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)benzohydrazide?
The InChIKey is TVERLKCCXPBGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)14-9-11-15(12-10-14)18-19-16(20)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20).
What are the key properties of N'-(4-tert-butylphenyl)benzohydrazide?
N'-(4-tert-butylphenyl)benzohydrazide has a molecular weight of 268.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)benzohydrazide is sourced from PubChem (CID 2813094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).