N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide

C24H24IN3O3 — CID 126257098

IUPACN-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
SMILESCCOc1cc(/C=N\NC(=O)CNc2ccc(I)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24IN3O3/c1-2-30-23-14-19(8-13-22(23)31-17-18-6-4-3-5-7-18)15-27-28-24(29)16-26-21-11-9-20(25)10-12-21/h3-15,26H,2,16-17H2,1H3,(H,28,29)/b27-15-
InChIKeyNLNINIGDAKKPDG-DICXZTSXSA-N
MW529.38 g/mol
LogP4.83
Rot. Bonds10

About N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide

N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide (PubChem CID 126257098) has the molecular formula C24H24IN3O3 and a molecular weight of 529.38 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
PubChem CID126257098
Molecular FormulaC24H24IN3O3
Molecular Weight529.38 g/mol
Exact Mass529.09
IUPAC NameN-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
SMILESCCOc1cc(/C=N\NC(=O)CNc2ccc(I)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24IN3O3/c1-2-30-23-14-19(8-13-22(23)31-17-18-6-4-3-5-7-18)15-27-28-24(29)16-26-21-11-9-20(25)10-12-21/h3-15,26H,2,16-17H2,1H3,(H,28,29)/b27-15-
InChIKeyNLNINIGDAKKPDG-DICXZTSXSA-N
XLogP4.83
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
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'}

Analyze N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)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-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 4008374
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
N'-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 5152754
N-(3,4-dimethylphenyl)-N'-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 171981257
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 126274682
N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4002606
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
2-(4-chloroanilino)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
CID 126367959
N'-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351747
2-(4-bromoanilino)-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 126370173
2-(2,6-dimethylanilino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3726528
2-(2,5-dichlorophenoxy)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3470692

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide (CID 126257098) is N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide is CCOc1cc(/C=N\NC(=O)CNc2ccc(I)cc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
The InChIKey is NLNINIGDAKKPDG-DICXZTSXSA-N. The full InChI is InChI=1S/C24H24IN3O3/c1-2-30-23-14-19(8-13-22(23)31-17-18-6-4-3-5-7-18)15-27-28-24(29)16-26-21-11-9-20(25)10-12-21/h3-15,26H,2,16-17H2,1H3,(H,28,29)/b27-15-.
What are the key properties of N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide has a molecular weight of 529.38 g/mol, XLogP of 4.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide is sourced from PubChem (CID 126257098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).