2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide

C19H22N2O4 — CID 6903754

IUPAC2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cc(/C=N/O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H22N2O4/c1-12-7-13(2)19(14(3)8-12)21-18(22)11-25-16-6-5-15(10-20-23)9-17(16)24-4/h5-10,23H,11H2,1-4H3,(H,21,22)/b20-10+
InChIKeyYNRQMMJCNDHBTJ-KEBDBYFISA-N
MW342.40 g/mol
LogP3.45
Rot. Bonds6

About 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 6903754) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID6903754
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cc(/C=N/O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H22N2O4/c1-12-7-13(2)19(14(3)8-12)21-18(22)11-25-16-6-5-15(10-20-23)9-17(16)24-4/h5-10,23H,11H2,1-4H3,(H,21,22)/b20-10+
InChIKeyYNRQMMJCNDHBTJ-KEBDBYFISA-N
XLogP3.45
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
N'-[(Z)-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]-N-methyloxamide
CID 126159591
2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7669003
N-butyl-N'-[(Z)-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126156630
N-(4-fluorophenyl)-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
CID 3619627
(E)-2-cyano-3-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]prop-2-enamide
CID 29220744
N-[(E)-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 6905897
N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 17201671
N-(4-butoxyphenyl)-N'-[(Z)-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126161169
N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 26217987
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
N-[[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2092747

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide (CID 6903754) is 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide is COc1cc(/C=N/O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is YNRQMMJCNDHBTJ-KEBDBYFISA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-7-13(2)19(14(3)8-12)21-18(22)11-25-16-6-5-15(10-20-23)9-17(16)24-4/h5-10,23H,11H2,1-4H3,(H,21,22)/b20-10+.
What are the key properties of 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 6903754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).