2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide

C17H17IN2O4 — CID 135884080

IUPAC2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C\c1cc(I)ccc1O
InChIInChI=1S/C17H17IN2O4/c1-2-23-15-5-3-4-6-16(15)24-11-17(22)20-19-10-12-9-13(18)7-8-14(12)21/h3-10,21H,2,11H2,1H3,(H,20,22)/b19-10-
InChIKeyIAJMCOLAWNNWLL-GRSHGNNSSA-N
MW440.24 g/mol
LogP2.92
Rot. Bonds7

About 2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide

2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide (PubChem CID 135884080) has the molecular formula C17H17IN2O4 and a molecular weight of 440.24 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
PubChem CID135884080
Molecular FormulaC17H17IN2O4
Molecular Weight440.24 g/mol
Exact Mass440.02
IUPAC Name2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C\c1cc(I)ccc1O
InChIInChI=1S/C17H17IN2O4/c1-2-23-15-5-3-4-6-16(15)24-11-17(22)20-19-10-12-9-13(18)7-8-14(12)21/h3-10,21H,2,11H2,1H3,(H,20,22)/b19-10-
InChIKeyIAJMCOLAWNNWLL-GRSHGNNSSA-N
XLogP2.92
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'}

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Related Compounds

N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136863946
N-[(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1237454
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135781705
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135470918
N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135884097
2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 136663488
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 136695896
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-hydroxyphenoxy)acetamide
CID 136732387
2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135472355
N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075
2-(2-ethoxyphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 19189958
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 136882181

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide (CID 135884080) is 2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide is CCOc1ccccc1OCC(=O)N/N=C\c1cc(I)ccc1O.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The InChIKey is IAJMCOLAWNNWLL-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17IN2O4/c1-2-23-15-5-3-4-6-16(15)24-11-17(22)20-19-10-12-9-13(18)7-8-14(12)21/h3-10,21H,2,11H2,1H3,(H,20,22)/b19-10-.
What are the key properties of 2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide has a molecular weight of 440.24 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135884080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).