N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C30H29N3O6 — CID 126235069

About N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 126235069) has the molecular formula C30H29N3O6 and a molecular weight of 527.58 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 126235069
• Molecular Formula: C30H29N3O6
• Molecular Weight: 527.58 g/mol
• Exact Mass: 527.21
• IUPAC Name: N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(OC)c1OCc1ccccc1
• InChI: InChI=1S/C30H29N3O6/c1-4-10-22-15-21(17-26(38-3)28(22)39-19-20-11-6-5-7-12-20)16-24-29(35)33(30(36)32-24)18-27(34)31-23-13-8-9-14-25(23)37-2/h4-9,11-17H,1,10,18-19H2,2-3H3,(H,31,34)(H,32,36)/b24-16+
• InChIKey: GKRVSGXTCUEBSV-LFVJCYFKSA-N
• XLogP: 4.54
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.58
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 126235069) is N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(OC)c1OCc1ccccc1.

What is the InChIKey of N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is GKRVSGXTCUEBSV-LFVJCYFKSA-N. The full InChI is InChI=1S/C30H29N3O6/c1-4-10-22-15-21(17-26(38-3)28(22)39-19-20-11-6-5-7-12-20)16-24-29(35)33(30(36)32-24)18-27(34)31-23-13-8-9-14-25(23)37-2/h4-9,11-17H,1,10,18-19H2,2-3H3,(H,31,34)(H,32,36)/b24-16+.

What are the key properties of N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 527.58 g/mol, XLogP of 4.54, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 126235069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).