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

C21H26N2O3 — CID 4500599

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

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

4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide (PubChem CID 4500599) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
PubChem CID4500599
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C21H26N2O3/c1-14-6-11-18(15(2)12-14)26-13-19(24)22-23-20(25)16-7-9-17(10-8-16)21(3,4)5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyKJEFFJPTJINZPG-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'}

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Related Compounds

4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 1047378
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
CID 912611
3-bromo-4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500815
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide
CID 17093328
methyl 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]benzoate
CID 17175383
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide (CID 4500599) is 4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of 4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
The InChIKey is KJEFFJPTJINZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-6-11-18(15(2)12-14)26-13-19(24)22-23-20(25)16-7-9-17(10-8-16)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-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
4-tert-butyl-N'-[2-(2,4-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-(2,4-dimethylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4500599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).