N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide

C21H26N2O3 — CID 19367952

IUPACN-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide
SMILESCOc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-14-10-15(2)12-17(11-14)20(25)23(21(3,4)5)22-19(24)16-8-7-9-18(13-16)26-6/h7-13H,1-6H3,(H,22,24)
InChIKeyWMVHARKWMABWRW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.90
Rot. Bonds3

About N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide

N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide (PubChem CID 19367952) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide
PubChem CID19367952
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide
SMILESCOc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-14-10-15(2)12-17(11-14)20(25)23(21(3,4)5)22-19(24)16-8-7-9-18(13-16)26-6/h7-13H,1-6H3,(H,22,24)
InChIKeyWMVHARKWMABWRW-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide 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 N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide?
The IUPAC name of N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide (CID 19367952) is N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide?
The canonical SMILES for N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide is COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide?
The InChIKey is WMVHARKWMABWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-10-15(2)12-17(11-14)20(25)23(21(3,4)5)22-19(24)16-8-7-9-18(13-16)26-6/h7-13H,1-6H3,(H,22,24).
What are the key properties of N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide?
N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide has a molecular weight of 354.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide is sourced from PubChem (CID 19367952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).