2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide

C18H20N2O5 — CID 124549086

IUPAC2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCCOc1cc(/C=N/O)ccc1OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O5/c1-3-24-17-10-13(11-19-22)4-9-16(17)25-12-18(21)20-14-5-7-15(23-2)8-6-14/h4-11,22H,3,12H2,1-2H3,(H,20,21)/b19-11+
InChIKeyHGNIGJKDFZFPIF-YBFXNURJSA-N
MW344.37 g/mol
LogP2.92
Rot. Bonds8

About 2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide

2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide (PubChem CID 124549086) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
PubChem CID124549086
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCCOc1cc(/C=N/O)ccc1OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O5/c1-3-24-17-10-13(11-19-22)4-9-16(17)25-12-18(21)20-14-5-7-15(23-2)8-6-14/h4-11,22H,3,12H2,1-2H3,(H,20,21)/b19-11+
InChIKeyHGNIGJKDFZFPIF-YBFXNURJSA-N
XLogP2.92
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(4-fluorophenyl)-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
CID 3619627
N-(4-ethoxyphenyl)-2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383482
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126257726
N-butyl-N'-[(Z)-[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126172008
methyl 2-[2-ethoxy-4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 4019862
ethyl 2-[2-ethoxy-4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3669831
N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784
N'-[(Z)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126267664
2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 9017322
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126161113
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 4540301
N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 4265248

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide (CID 124549086) is 2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide is CCOc1cc(/C=N/O)ccc1OCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The InChIKey is HGNIGJKDFZFPIF-YBFXNURJSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-24-17-10-13(11-19-22)4-9-16(17)25-12-18(21)20-14-5-7-15(23-2)8-6-14/h4-11,22H,3,12H2,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 124549086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).