2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

C21H21N3O5 — CID 6261030

IUPAC2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCOc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1O
InChIInChI=1S/C21H21N3O5/c1-3-29-17-9-5-7-14(19(17)26)11-16-20(27)24(21(28)23-16)12-18(25)22-15-8-4-6-13(2)10-15/h4-11,26H,3,12H2,1-2H3,(H,22,25)(H,23,28)/b16-11+
InChIKeyJRAXBTSBMHLCLC-LFIBNONCSA-N
MW395.42 g/mol
LogP2.63
Rot. Bonds6

About 2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 6261030) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID6261030
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCOc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1O
InChIInChI=1S/C21H21N3O5/c1-3-29-17-9-5-7-14(19(17)26)11-16-20(27)24(21(28)23-16)12-18(25)22-15-8-4-6-13(2)10-15/h4-11,26H,3,12H2,1-2H3,(H,22,25)(H,23,28)/b16-11+
InChIKeyJRAXBTSBMHLCLC-LFIBNONCSA-N
XLogP2.63
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 6261030) is 2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is CCOc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1O.
What is the InChIKey of 2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is JRAXBTSBMHLCLC-LFIBNONCSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-3-29-17-9-5-7-14(19(17)26)11-16-20(27)24(21(28)23-16)12-18(25)22-15-8-4-6-13(2)10-15/h4-11,26H,3,12H2,1-2H3,(H,22,25)(H,23,28)/b16-11+.
What are the key properties of 2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 6261030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).