2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide

C18H19IN2O5 — CID 135614416

IUPAC2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c(OC)c1
InChIInChI=1S/C18H19IN2O5/c1-3-25-14-6-4-5-7-15(14)26-11-17(22)21-20-10-12-8-13(19)18(23)16(9-12)24-2/h4-10,23H,3,11H2,1-2H3,(H,21,22)/b20-10+
InChIKeyWRJOFDRPOVJJID-KEBDBYFISA-N
MW470.26 g/mol
LogP2.93
Rot. Bonds8

About 2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide

2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135614416) has the molecular formula C18H19IN2O5 and a molecular weight of 470.26 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
PubChem CID135614416
Molecular FormulaC18H19IN2O5
Molecular Weight470.26 g/mol
Exact Mass470.03
IUPAC Name2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c(OC)c1
InChIInChI=1S/C18H19IN2O5/c1-3-25-14-6-4-5-7-15(14)26-11-17(22)21-20-10-12-8-13(19)18(23)16(9-12)24-2/h4-10,23H,3,11H2,1-2H3,(H,21,22)/b20-10+
InChIKeyWRJOFDRPOVJJID-KEBDBYFISA-N
XLogP2.93
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.26
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135614407
3,4-diethoxy-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide
CID 137068545
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117417
N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5124745
N-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1381741
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19190612
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748227
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977
N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135614187

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide (CID 135614416) is 2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide is CCOc1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c(OC)c1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is WRJOFDRPOVJJID-KEBDBYFISA-N. The full InChI is InChI=1S/C18H19IN2O5/c1-3-25-14-6-4-5-7-15(14)26-11-17(22)21-20-10-12-8-13(19)18(23)16(9-12)24-2/h4-10,23H,3,11H2,1-2H3,(H,21,22)/b20-10+.
What are the key properties of 2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide?
2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 470.26 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135614416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).