2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide

C25H25IN2O4 — CID 126209667

IUPAC2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide
SMILESCCOc1ccc(/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1
InChIInChI=1S/C25H25IN2O4/c1-3-30-21-12-10-19(11-13-21)27-16-18-14-22(26)25(23(15-18)31-4-2)32-17-24(29)28-20-8-6-5-7-9-20/h5-16H,3-4,17H2,1-2H3,(H,28,29)/b27-16+
InChIKeyYAQHRBFDAYTORI-JVWAILMASA-N
MW544.39 g/mol
LogP5.86
Rot. Bonds10

About 2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide

2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide (PubChem CID 126209667) has the molecular formula C25H25IN2O4 and a molecular weight of 544.39 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide
PubChem CID126209667
Molecular FormulaC25H25IN2O4
Molecular Weight544.39 g/mol
Exact Mass544.09
IUPAC Name2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide
SMILESCCOc1ccc(/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1
InChIInChI=1S/C25H25IN2O4/c1-3-30-21-12-10-19(11-13-21)27-16-18-14-22(26)25(23(15-18)31-4-2)32-17-24(29)28-20-8-6-5-7-9-20/h5-16H,3-4,17H2,1-2H3,(H,28,29)/b27-16+
InChIKeyYAQHRBFDAYTORI-JVWAILMASA-N
XLogP5.86
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.39
LogP ≤ 55.86
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'}

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Related Compounds

2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126220525
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126214958
2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218291
2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]-N-(3-methylphenyl)acetamide
CID 126209254
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126224022
N-(4-ethoxyphenyl)-2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383482
2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 126381158
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126323799
2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 126047053
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126223775

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide (CID 126209667) is 2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide is CCOc1ccc(/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1.
What is the InChIKey of 2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide?
The InChIKey is YAQHRBFDAYTORI-JVWAILMASA-N. The full InChI is InChI=1S/C25H25IN2O4/c1-3-30-21-12-10-19(11-13-21)27-16-18-14-22(26)25(23(15-18)31-4-2)32-17-24(29)28-20-8-6-5-7-9-20/h5-16H,3-4,17H2,1-2H3,(H,28,29)/b27-16+.
What are the key properties of 2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide?
2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide has a molecular weight of 544.39 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide is sourced from PubChem (CID 126209667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).