2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide

C20H24N2O3 — CID 54137319

IUPAC2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)14-10-12-15(13-11-14)25-17-9-7-6-8-16(17)18(22-24-5)19(23)21-4/h6-13H,1-5H3,(H,21,23)
InChIKeyNYQBZEPOIKRFNF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.87
Rot. Bonds5

About 2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide

2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 54137319) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID54137319
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)14-10-12-15(13-11-14)25-17-9-7-6-8-16(17)18(22-24-5)19(23)21-4/h6-13H,1-5H3,(H,21,23)
InChIKeyNYQBZEPOIKRFNF-UHFFFAOYSA-N
XLogP3.87
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.87
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-methoxyimino-N-methyl-2-[2-(4-phenoxyphenoxy)phenyl]acetamide
CID 54359900
2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54158947
2-[2-(3,4-dichlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54250767
(2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 15767096
methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate
CID 10803045
2-(4-tert-butylphenoxy)benzoate
CID 22015143
(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
CID 59956522
(2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
CID 15835093
(2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide
CID 54130842
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide
CID 11187591

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of 2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide (CID 54137319) is 2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for 2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)C(=NOC)c1ccccc1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is NYQBZEPOIKRFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)14-10-12-15(13-11-14)25-17-9-7-6-8-16(17)18(22-24-5)19(23)21-4/h6-13H,1-5H3,(H,21,23).
What are the key properties of 2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide?
2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 340.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 54137319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).