2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide

C17H17IN2O3 — CID 135643998

IUPAC2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2ccc(O)c(I)c2)c1C
InChIInChI=1S/C17H17IN2O3/c1-11-4-3-5-16(12(11)2)23-10-17(22)20-19-9-13-6-7-15(21)14(18)8-13/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-9-
InChIKeyPKHOGVGDHGDWGL-OCKHKDLRSA-N
MW424.24 g/mol
LogP3.14
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide

2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide (PubChem CID 135643998) has the molecular formula C17H17IN2O3 and a molecular weight of 424.24 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
PubChem CID135643998
Molecular FormulaC17H17IN2O3
Molecular Weight424.24 g/mol
Exact Mass424.03
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2ccc(O)c(I)c2)c1C
InChIInChI=1S/C17H17IN2O3/c1-11-4-3-5-16(12(11)2)23-10-17(22)20-19-9-13-6-7-15(21)14(18)8-13/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-9-
InChIKeyPKHOGVGDHGDWGL-OCKHKDLRSA-N
XLogP3.14
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 53.14
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

N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135619927
2-(2,3-dimethylphenoxy)-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]acetamide
CID 6092676
N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 957902
N-[(E)-(4-bromophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 19182261
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135884295
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135615101
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748198
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 136718750
2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 3928116
2-(2,3-dimethylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 957917
2-(2,3-dimethylphenoxy)-N-[(E)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135590284

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide (CID 135643998) is 2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide is Cc1cccc(OCC(=O)N/N=C\c2ccc(O)c(I)c2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
The InChIKey is PKHOGVGDHGDWGL-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H17IN2O3/c1-11-4-3-5-16(12(11)2)23-10-17(22)20-19-9-13-6-7-15(21)14(18)8-13/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-9-.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide has a molecular weight of 424.24 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135643998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).