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

C21H34N2O3 — CID 2309489

IUPACN-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide
SMILESCC(C)(C)NC(=O)CON=Cc1cc(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)
InChIKeyAKQOYEGORHLSAG-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.25
Rot. Bonds4

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

N-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide (PubChem CID 2309489) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide
PubChem CID2309489
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC NameN-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide
SMILESCC(C)(C)NC(=O)CON=Cc1cc(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)
InChIKeyAKQOYEGORHLSAG-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide (CID 2309489) is N-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide is CC(C)(C)NC(=O)CON=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is AKQOYEGORHLSAG-UHFFFAOYSA-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).
What are the key properties of N-tert-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide?
N-tert-butyl-2-[(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-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 2309489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).