2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide

C17H27N3O3 — CID 135520002

IUPAC2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide
SMILESCC(C)(C)c1cc(/C=N/OCC(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H27N3O3/c1-16(2,3)12-7-11(9-19-23-10-14(21)20-18)8-13(15(12)22)17(4,5)6/h7-9,22H,10,18H2,1-6H3,(H,20,21)/b19-9+
InChIKeySIMKOIOOBVQLGV-DJKKODMXSA-N
MW321.42 g/mol
LogP2.33
Rot. Bonds4

About 2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide

2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide (PubChem CID 135520002) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide.

Molecular Properties

Compound Name2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide
PubChem CID135520002
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide
SMILESCC(C)(C)c1cc(/C=N/OCC(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H27N3O3/c1-16(2,3)12-7-11(9-19-23-10-14(21)20-18)8-13(15(12)22)17(4,5)6/h7-9,22H,10,18H2,1-6H3,(H,20,21)/b19-9+
InChIKeySIMKOIOOBVQLGV-DJKKODMXSA-N
XLogP2.33
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[3-[(E)-(Acetylhydrazono)methyl]-2-hydroxy-5-isopropyl-phenyl]methyleneamino]acetamide
CID 135455074
N-[[(5E)-3-tert-butyl-5-[(2-ethanoylhydrazinyl)methylidene]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]methylideneamino]ethanamide
CID 135460417
N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide
CID 135519972
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135723720
N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]acetamide
CID 136184469
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]octadecanamide
CID 136772914
N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
CID 829518
N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide
CID 829520
2-[(3,5-Ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide
CID 2309160
N-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide
CID 2309489
2,4-Ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol
CID 2320237
N',N''-[(2-hydroxy-5-methyl-1,3-phenylene)dimethylylidene]diacetohydrazide
CID 135457636

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide?
The IUPAC name of 2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide (CID 135520002) is 2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide.
What is the SMILES notation for 2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide?
The canonical SMILES for 2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide is CC(C)(C)c1cc(/C=N/OCC(=O)NN)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide?
The InChIKey is SIMKOIOOBVQLGV-DJKKODMXSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-16(2,3)12-7-11(9-19-23-10-14(21)20-18)8-13(15(12)22)17(4,5)6/h7-9,22H,10,18H2,1-6H3,(H,20,21)/b19-9+.
What are the key properties of 2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide?
2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide has a molecular weight of 321.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide is sourced from PubChem (CID 135520002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).