2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide

C20H23BrN2O3 — CID 6231272

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1/C=N\NC(=O)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C20H23BrN2O3/c1-20(2,3)15-9-10-18(16(21)11-15)26-13-19(24)23-22-12-14-7-5-6-8-17(14)25-4/h5-12H,13H2,1-4H3,(H,23,24)/b22-12-
InChIKeyTZZKCIMEXAQYEK-UUYOSTAYSA-N
MW419.32 g/mol
LogP4.28
Rot. Bonds6

About 2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide

2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 6231272) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
PubChem CID6231272
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1/C=N\NC(=O)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C20H23BrN2O3/c1-20(2,3)15-9-10-18(16(21)11-15)26-13-19(24)23-22-12-14-7-5-6-8-17(14)25-4/h5-12H,13H2,1-4H3,(H,23,24)/b22-12-
InChIKeyTZZKCIMEXAQYEK-UUYOSTAYSA-N
XLogP4.28
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
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-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135899617
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4922199
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135588895
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 4922179
2-(2-bromo-4-tert-butylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4925212
2-(2-bromo-4-ethylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 4628414
2-(2-bromo-4-tert-butylphenoxy)-N-[[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 4922524
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6231186
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide
CID 4980952
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19207935
2-(2-bromo-4-tert-butylphenoxy)-N-(naphthalen-2-ylmethylideneamino)acetamide
CID 4922186
2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 4922231

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide (CID 6231272) is 2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide is COc1ccccc1/C=N\NC(=O)COc1ccc(C(C)(C)C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is TZZKCIMEXAQYEK-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-20(2,3)15-9-10-18(16(21)11-15)26-13-19(24)23-22-12-14-7-5-6-8-17(14)25-4/h5-12H,13H2,1-4H3,(H,23,24)/b22-12-.
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 419.32 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6231272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).