4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide

C21H26N2O3 — CID 3310075

IUPAC4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-14-6-7-15(2)18(12-14)26-13-19(24)22-23-20(25)16-8-10-17(11-9-16)21(3,4)5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyZAVUSOQVHKFGBZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.44
Rot. Bonds4

About 4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide

4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide (PubChem CID 3310075) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
PubChem CID3310075
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-14-6-7-15(2)18(12-14)26-13-19(24)22-23-20(25)16-8-10-17(11-9-16)21(3,4)5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyZAVUSOQVHKFGBZ-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.44
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'-[2-(2,5-dimethylphenoxy)acetyl]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

4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599
4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 1047378
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
CID 4811497
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]propanoic acid
CID 7044999

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide (CID 3310075) is 4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide?
The InChIKey is ZAVUSOQVHKFGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-6-7-15(2)18(12-14)26-13-19(24)22-23-20(25)16-8-10-17(11-9-16)21(3,4)5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide?
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide has a molecular weight of 354.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 3310075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).