N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide

C19H21IN2O3 — CID 137180791

IUPACN-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
SMILESCCOc1cc(/C=N/NC(=O)Cc2ccc(CC)cc2)cc(I)c1O
InChIInChI=1S/C19H21IN2O3/c1-3-13-5-7-14(8-6-13)11-18(23)22-21-12-15-9-16(20)19(24)17(10-15)25-4-2/h5-10,12,24H,3-4,11H2,1-2H3,(H,22,23)/b21-12+
InChIKeyKCYDBQKWVXJCAD-CIAFOILYSA-N
MW452.29 g/mol
LogP3.65
Rot. Bonds7

About N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide

N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide (PubChem CID 137180791) has the molecular formula C19H21IN2O3 and a molecular weight of 452.29 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
PubChem CID137180791
Molecular FormulaC19H21IN2O3
Molecular Weight452.29 g/mol
Exact Mass452.06
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
SMILESCCOc1cc(/C=N/NC(=O)Cc2ccc(CC)cc2)cc(I)c1O
InChIInChI=1S/C19H21IN2O3/c1-3-13-5-7-14(8-6-13)11-18(23)22-21-12-15-9-16(20)19(24)17(10-15)25-4-2/h5-10,12,24H,3-4,11H2,1-2H3,(H,22,23)/b21-12+
InChIKeyKCYDBQKWVXJCAD-CIAFOILYSA-N
XLogP3.65
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-(4-tert-butylphenyl)-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135678930
2-(4-bromophenyl)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 135579428
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789438
N-(4-chlorophenyl)-N'-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]propanediamide
CID 3509912
N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 6072446
N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide
CID 2841647
N-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1381741
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-4-methylbenzamide
CID 137068277
2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 135614416
4-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135644310
4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135579323
N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide
CID 137048193

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide (CID 137180791) is N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide is CCOc1cc(/C=N/NC(=O)Cc2ccc(CC)cc2)cc(I)c1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide?
The InChIKey is KCYDBQKWVXJCAD-CIAFOILYSA-N. The full InChI is InChI=1S/C19H21IN2O3/c1-3-13-5-7-14(8-6-13)11-18(23)22-21-12-15-9-16(20)19(24)17(10-15)25-4-2/h5-10,12,24H,3-4,11H2,1-2H3,(H,22,23)/b21-12+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide?
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide has a molecular weight of 452.29 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 137180791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).