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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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).