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

C22H23N3O5 — CID 6535510

IUPAC2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OC
InChIInChI=1S/C22H23N3O5/c1-4-30-19-12-15(8-9-18(19)29-3)11-17-21(27)25(22(28)24-17)13-20(26)23-16-7-5-6-14(2)10-16/h5-12H,4,13H2,1-3H3,(H,23,26)(H,24,28)/b17-11-
InChIKeySITUSGJTWLZSIM-BOPFTXTBSA-N
MW409.44 g/mol
LogP2.93
Rot. Bonds7

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

2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 6535510) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID6535510
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OC
InChIInChI=1S/C22H23N3O5/c1-4-30-19-12-15(8-9-18(19)29-3)11-17-21(27)25(22(28)24-17)13-20(26)23-16-7-5-6-14(2)10-16/h5-12H,4,13H2,1-3H3,(H,23,26)(H,24,28)/b17-11-
InChIKeySITUSGJTWLZSIM-BOPFTXTBSA-N
XLogP2.93
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
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-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 6535510) is 2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OC.
What is the InChIKey of 2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is SITUSGJTWLZSIM-BOPFTXTBSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-4-30-19-12-15(8-9-18(19)29-3)11-17-21(27)25(22(28)24-17)13-20(26)23-16-7-5-6-14(2)10-16/h5-12H,4,13H2,1-3H3,(H,23,26)(H,24,28)/b17-11-.
What are the key properties of 2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 6535510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).