N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide

C24H31N3O6 — CID 17356770

IUPACN'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1
InChIInChI=1S/C24H31N3O6/c1-23(2,3)16-7-12-20(19(13-16)24(4,5)6)33-15-22(29)26-25-21(28)14-32-18-10-8-17(9-11-18)27(30)31/h7-13H,14-15H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyCRNCSIOTCXZIKG-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.80
Rot. Bonds7

About N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide

N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide (PubChem CID 17356770) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide
PubChem CID17356770
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC NameN'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1
InChIInChI=1S/C24H31N3O6/c1-23(2,3)16-7-12-20(19(13-16)24(4,5)6)33-15-22(29)26-25-21(28)14-32-18-10-8-17(9-11-18)27(30)31/h7-13H,14-15H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyCRNCSIOTCXZIKG-UHFFFAOYSA-N
XLogP3.80
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
CID 4951428
3-bromo-4-tert-butyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 3401535
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
CID 17356745
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide
CID 17356816
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dinitrobenzohydrazide
CID 4922335
N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-4-nitrobenzamide
CID 4922520
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169454
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17359381
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 6368206

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide?
The IUPAC name of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide (CID 17356770) is N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1.
What is the InChIKey of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide?
The InChIKey is CRNCSIOTCXZIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-23(2,3)16-7-12-20(19(13-16)24(4,5)6)33-15-22(29)26-25-21(28)14-32-18-10-8-17(9-11-18)27(30)31/h7-13H,14-15H2,1-6H3,(H,25,28)(H,26,29).
What are the key properties of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide?
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide has a molecular weight of 457.53 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide is sourced from PubChem (CID 17356770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).