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

C23H30N2O3 — CID 3311747

IUPAC4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-22(2,3)17-9-7-16(8-10-17)21(27)25-24-20(26)15-28-19-13-11-18(12-14-19)23(4,5)6/h7-14H,15H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyBPHQHIOEQCBAII-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.12
Rot. Bonds4

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

4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide (PubChem CID 3311747) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
PubChem CID3311747
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-22(2,3)17-9-7-16(8-10-17)21(27)25-24-20(26)15-28-19-13-11-18(12-14-19)23(4,5)6/h7-14H,15H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyBPHQHIOEQCBAII-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.12
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

N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4945083
4-tert-butyl-N-[4-[[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]carbamoyl]phenyl]benzamide
CID 17093395
4-tert-butyl-N-[4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 4513398
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 40621307
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
4-tert-butyl-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3378124
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 18272580
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 3321462

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide (CID 3311747) is 4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide?
The InChIKey is BPHQHIOEQCBAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-22(2,3)17-9-7-16(8-10-17)21(27)25-24-20(26)15-28-19-13-11-18(12-14-19)23(4,5)6/h7-14H,15H2,1-6H3,(H,24,26)(H,25,27).
What are the key properties of 4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide?
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide has a molecular weight of 382.50 g/mol, XLogP of 4.12, 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-(4-tert-butylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 3311747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).