2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide

C18H19IN2O4 — CID 126381158

IUPAC2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
SMILESCCOc1c(I)cc(/C=N/OCC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C18H19IN2O4/c1-3-24-18-15(19)9-13(10-16(18)23-2)11-20-25-12-17(22)21-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-11+
InChIKeyZPNPPXUTTLCLRX-RGVLZGJSSA-N
MW454.26 g/mol
LogP3.69
Rot. Bonds8

About 2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide

2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide (PubChem CID 126381158) has the molecular formula C18H19IN2O4 and a molecular weight of 454.26 g/mol. Its IUPAC name is 2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
PubChem CID126381158
Molecular FormulaC18H19IN2O4
Molecular Weight454.26 g/mol
Exact Mass454.04
IUPAC Name2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
SMILESCCOc1c(I)cc(/C=N/OCC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C18H19IN2O4/c1-3-24-18-15(19)9-13(10-16(18)23-2)11-20-25-12-17(22)21-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-11+
InChIKeyZPNPPXUTTLCLRX-RGVLZGJSSA-N
XLogP3.69
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 124551713
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7706853
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide
CID 7706874
2-[(E)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126373978
2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
CID 126219265
2-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126374789
2-[(E)-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126381474
N-(4-tert-butylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662805
N'-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 3462962
2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide
CID 126209667

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The IUPAC name of 2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide (CID 126381158) is 2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide is CCOc1c(I)cc(/C=N/OCC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The InChIKey is ZPNPPXUTTLCLRX-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19IN2O4/c1-3-24-18-15(19)9-13(10-16(18)23-2)11-20-25-12-17(22)21-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-11+.
What are the key properties of 2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide has a molecular weight of 454.26 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide is sourced from PubChem (CID 126381158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).