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

C22H36N2O3 — CID 17356816

IUPACN'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C22H36N2O3/c1-8-9-10-11-19(25)23-24-20(26)15-27-18-13-12-16(21(2,3)4)14-17(18)22(5,6)7/h12-14H,8-11,15H2,1-7H3,(H,23,25)(H,24,26)
InChIKeyQEFZDINWSAMEDP-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.39
Rot. Bonds7

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

N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide (PubChem CID 17356816) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide
PubChem CID17356816
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC NameN'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C22H36N2O3/c1-8-9-10-11-19(25)23-24-20(26)15-27-18-13-12-16(21(2,3)4)14-17(18)22(5,6)7/h12-14H,8-11,15H2,1-7H3,(H,23,25)(H,24,26)
InChIKeyQEFZDINWSAMEDP-UHFFFAOYSA-N
XLogP4.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hexanehydrazide
CID 17051882
1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide
CID 4922528
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
CID 17356745
2-(2,4-ditert-butylphenoxy)-N-[8-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]octyl]acetamide
CID 17233420
N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide
CID 17093425
4-[2-[2-(2,4-ditert-butylphenoxy)acetyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 17356767
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78821540
2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide
CID 17356770
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17357144

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide?
The IUPAC name of N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide (CID 17356816) is N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide.
What is the SMILES notation for N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide?
The canonical SMILES for N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide is CCCCCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide?
The InChIKey is QEFZDINWSAMEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-8-9-10-11-19(25)23-24-20(26)15-27-18-13-12-16(21(2,3)4)14-17(18)22(5,6)7/h12-14H,8-11,15H2,1-7H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide?
N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide has a molecular weight of 376.54 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide is sourced from PubChem (CID 17356816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).