ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate

C22H29N3O3 — CID 4174640

IUPACethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate
SMILESCCOC(=O)/C(=N\CCOc1ccc(C(C)(C)C)cc1)NNc1ccccc1
InChIInChI=1S/C22H29N3O3/c1-5-27-21(26)20(25-24-18-9-7-6-8-10-18)23-15-16-28-19-13-11-17(12-14-19)22(2,3)4/h6-14,24H,5,15-16H2,1-4H3,(H,23,25)
InChIKeyWYGZAYGZQJZQJE-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.94
Rot. Bonds7

About ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate

ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate (PubChem CID 4174640) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate
PubChem CID4174640
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Nameethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate
SMILESCCOC(=O)/C(=N\CCOc1ccc(C(C)(C)C)cc1)NNc1ccccc1
InChIInChI=1S/C22H29N3O3/c1-5-27-21(26)20(25-24-18-9-7-6-8-10-18)23-15-16-28-19-13-11-17(12-14-19)22(2,3)4/h6-14,24H,5,15-16H2,1-4H3,(H,23,25)
InChIKeyWYGZAYGZQJZQJE-UHFFFAOYSA-N
XLogP3.94
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[N'-[2-(4-tert-butylphenoxy)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111032394
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
2-[2-(4-tert-butylphenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111032367
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate
CID 619853
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
ethyl 6-(4-tert-butylphenoxy)hexanoate
CID 59210875
2-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N'-phenylacetohydrazide
CID 43860115
N-benzyl-2-(4-tert-butylphenoxy)ethanamine;oxalic acid
CID 2934321
2-(4-tritylphenoxy)ethyl 2,2-dimethylbutanoate
CID 156654615
2-[2-(4-tert-butylphenoxy)ethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111032388
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate?
The IUPAC name of ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate (CID 4174640) is ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate.
What is the SMILES notation for ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate?
The canonical SMILES for ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate is CCOC(=O)/C(=N\CCOc1ccc(C(C)(C)C)cc1)NNc1ccccc1.
What is the InChIKey of ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate?
The InChIKey is WYGZAYGZQJZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-5-27-21(26)20(25-24-18-9-7-6-8-10-18)23-15-16-28-19-13-11-17(12-14-19)22(2,3)4/h6-14,24H,5,15-16H2,1-4H3,(H,23,25).
What are the key properties of ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate?
ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate has a molecular weight of 383.49 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-tert-butylphenoxy)ethylimino]-2-(2-phenylhydrazinyl)acetate is sourced from PubChem (CID 4174640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).