N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide

C21H34N2O3 — CID 135519972

IUPACN-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide
SMILESCC(C)(C)NC(=O)CO/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H34N2O3/c1-19(2,3)15-10-14(11-16(18(15)25)20(4,5)6)12-22-26-13-17(24)23-21(7,8)9/h10-12,25H,13H2,1-9H3,(H,23,24)/b22-12+
InChIKeyAKQOYEGORHLSAG-WSDLNYQXSA-N
MW362.51 g/mol
LogP4.25
Rot. Bonds4

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

N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide (PubChem CID 135519972) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide
PubChem CID135519972
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC NameN-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide
SMILESCC(C)(C)NC(=O)CO/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H34N2O3/c1-19(2,3)15-10-14(11-16(18(15)25)20(4,5)6)12-22-26-13-17(24)23-21(7,8)9/h10-12,25H,13H2,1-9H3,(H,23,24)/b22-12+
InChIKeyAKQOYEGORHLSAG-WSDLNYQXSA-N
XLogP4.25
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetohydrazide
CID 135520002
N-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]ethyl]acetamide
CID 138979202
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-[(2-Amino-1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-6-ethyl-4-methylphenol
CID 137154042
Tert-butyl-[(3,5-ditert-butyl-2-hydroxyphenyl)methylidene]azanium
CID 143106572
(Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium
CID 143106582
2-[(3-Amino-2,3-dimethylbutan-2-yl)iminomethyl]-4,6-ditert-butylphenol
CID 152142906
Tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-formylazanium
CID 173391386
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide
CID 2309154
2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol
CID 135499797
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide
CID 135576401

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide (CID 135519972) is N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide is CC(C)(C)NC(=O)CO/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is AKQOYEGORHLSAG-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-19(2,3)15-10-14(11-16(18(15)25)20(4,5)6)12-22-26-13-17(24)23-21(7,8)9/h10-12,25H,13H2,1-9H3,(H,23,24)/b22-12+.
What are the key properties of N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide?
N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 362.51 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 135519972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).