2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide

C23H26N4O2 — CID 6028604

IUPAC2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H26N4O2/c1-17(18-5-9-20(10-6-18)27-14-13-24-16-27)25-26-22(28)15-29-21-11-7-19(8-12-21)23(2,3)4/h5-14,16H,15H2,1-4H3,(H,26,28)/b25-17+
InChIKeyLPJPUSLJGXUAPS-KOEQRZSOSA-N
MW390.49 g/mol
LogP4.09
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide

2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide (PubChem CID 6028604) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide
PubChem CID6028604
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H26N4O2/c1-17(18-5-9-20(10-6-18)27-14-13-24-16-27)25-26-22(28)15-29-21-11-7-19(8-12-21)23(2,3)4/h5-14,16H,15H2,1-4H3,(H,26,28)/b25-17+
InChIKeyLPJPUSLJGXUAPS-KOEQRZSOSA-N
XLogP4.09
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide (CID 6028604) is 2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide?
The InChIKey is LPJPUSLJGXUAPS-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17(18-5-9-20(10-6-18)27-14-13-24-16-27)25-26-22(28)15-29-21-11-7-19(8-12-21)23(2,3)4/h5-14,16H,15H2,1-4H3,(H,26,28)/b25-17+.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide?
2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide has a molecular weight of 390.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 6028604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).