2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide

C19H22N2O3 — CID 91501205

IUPAC2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccc(COc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3/c1-13-5-6-14(2)17(11-13)24-12-15-7-9-16(10-8-15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyLTSZUUHIFJZVGO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.98
Rot. Bonds6

About 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide

2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 91501205) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID91501205
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccc(COc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3/c1-13-5-6-14(2)17(11-13)24-12-15-7-9-16(10-8-15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyLTSZUUHIFJZVGO-UHFFFAOYSA-N
XLogP2.98
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.98
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

Dimoxystrobin
CID 10936292
(2E)-2-methoxyimino-N-methyl-2-(2-phenoxyphenyl)acetamide
CID 5483872
(Z)-Metominostrobin
CID 9576038
2-(Methoxyimino)-N-methyl-2-(2-phenoxyphenyl)acetamide
CID 86403
(E)-2-[2-(2,5-dimethylphenoxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
CID 9797414
(2E)-2-[2-(2,5-dimethylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 76312896
3-(3-methoxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095689
2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide
CID 56715868
(E)-2-(Hydroxyimino)-N-methyl-2-(2-phenoxyphenyl)acetamide
CID 9816878
(Z)-N-methyl2-[2-(3-tolyloxy)phenyl]-2-methoxyiminoacetamide
CID 10979419
(2E)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 10979878
(2E)-2-methoxyimino-N-methyl-2-[2-[(4-phenylphenoxy)methyl]phenyl]acetamide
CID 11046997

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 91501205) is 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)C(=NOC)c1ccc(COc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is LTSZUUHIFJZVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-5-6-14(2)17(11-13)24-12-15-7-9-16(10-8-15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22).
What are the key properties of 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 326.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 91501205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).