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

C19H22N2O3 — CID 774424

IUPAC4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)15-9-5-13(6-10-15)17(22)20-21-18(23)14-7-11-16(24-4)12-8-14/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyUBDHFQFZVLYFQL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.07
Rot. Bonds3

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

4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide (PubChem CID 774424) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide
PubChem CID774424
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)15-9-5-13(6-10-15)17(22)20-21-18(23)14-7-11-16(24-4)12-8-14/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyUBDHFQFZVLYFQL-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide (CID 774424) is 4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide?
The InChIKey is UBDHFQFZVLYFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)15-9-5-13(6-10-15)17(22)20-21-18(23)14-7-11-16(24-4)12-8-14/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide?
4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide is sourced from PubChem (CID 774424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).