(2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide

C19H22N2O3 — CID 135308460

IUPAC(2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1cccc(Oc2cc(C)ccc2C)c1C
InChIInChI=1S/C19H22N2O3/c1-12-9-10-13(2)17(11-12)24-16-8-6-7-15(14(16)3)18(21-23-5)19(22)20-4/h6-11H,1-5H3,(H,20,22)/b21-18+
InChIKeyWQAQFNONMLKZLW-DYTRJAOYSA-N
MW326.40 g/mol
LogP3.50
Rot. Bonds5

About (2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide

(2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 135308460) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide
PubChem CID135308460
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1cccc(Oc2cc(C)ccc2C)c1C
InChIInChI=1S/C19H22N2O3/c1-12-9-10-13(2)17(11-12)24-16-8-6-7-15(14(16)3)18(21-23-5)19(22)20-4/h6-11H,1-5H3,(H,20,22)/b21-18+
InChIKeyWQAQFNONMLKZLW-DYTRJAOYSA-N
XLogP3.50
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.50
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 (2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide (CID 135308460) is (2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N/OC)c1cccc(Oc2cc(C)ccc2C)c1C.
What is the InChIKey of (2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is WQAQFNONMLKZLW-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-9-10-13(2)17(11-12)24-16-8-6-7-15(14(16)3)18(21-23-5)19(22)20-4/h6-11H,1-5H3,(H,20,22)/b21-18+.
What are the key properties of (2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide?
(2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 326.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[3-(2,5-dimethylphenoxy)-2-methylphenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 135308460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).