2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide

C19H21IN2O4 — CID 135472355

IUPAC2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
SMILESCCOc1cc(I)cc(/C=N/NC(=O)COc2cccc(C)c2C)c1O
InChIInChI=1S/C19H21IN2O4/c1-4-25-17-9-15(20)8-14(19(17)24)10-21-22-18(23)11-26-16-7-5-6-12(2)13(16)3/h5-10,24H,4,11H2,1-3H3,(H,22,23)/b21-10+
InChIKeyBOEYCHSXDCHEKP-UFFVCSGVSA-N
MW468.29 g/mol
LogP3.54
Rot. Bonds7

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

2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide (PubChem CID 135472355) has the molecular formula C19H21IN2O4 and a molecular weight of 468.29 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
PubChem CID135472355
Molecular FormulaC19H21IN2O4
Molecular Weight468.29 g/mol
Exact Mass468.05
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
SMILESCCOc1cc(I)cc(/C=N/NC(=O)COc2cccc(C)c2C)c1O
InChIInChI=1S/C19H21IN2O4/c1-4-25-17-9-15(20)8-14(19(17)24)10-21-22-18(23)11-26-16-7-5-6-12(2)13(16)3/h5-10,24H,4,11H2,1-3H3,(H,22,23)/b21-10+
InChIKeyBOEYCHSXDCHEKP-UFFVCSGVSA-N
XLogP3.54
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.29
LogP ≤ 53.54
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

2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 136663488
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136720788
2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135884080
2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 135643998
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135884295
N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135941994
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)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 136695896
2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5426214
2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide (CID 135472355) is 2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide is CCOc1cc(I)cc(/C=N/NC(=O)COc2cccc(C)c2C)c1O.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The InChIKey is BOEYCHSXDCHEKP-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H21IN2O4/c1-4-25-17-9-15(20)8-14(19(17)24)10-21-22-18(23)11-26-16-7-5-6-12(2)13(16)3/h5-10,24H,4,11H2,1-3H3,(H,22,23)/b21-10+.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide has a molecular weight of 468.29 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135472355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).