N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C30H25N3O4 — CID 126107889

About N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 126107889) has the molecular formula C30H25N3O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 126107889
• Molecular Formula: C30H25N3O4
• Molecular Weight: 491.55 g/mol
• Exact Mass: 491.18
• IUPAC Name: N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3ccc4ccccc4c3)C2=O)c1
• InChI: InChI=1S/C30H25N3O4/c1-20-7-6-11-25(15-20)31-28(34)18-33-29(35)26(32-30(33)36)17-24-10-4-5-12-27(24)37-19-21-13-14-22-8-2-3-9-23(22)16-21/h2-17H,18-19H2,1H3,(H,31,34)(H,32,36)/b26-17+
• InChIKey: YEYZIFPYTUKPHO-YZSQISJMSA-N
• XLogP: 5.26
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.55
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 126107889) is N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3ccc4ccccc4c3)C2=O)c1.

What is the InChIKey of N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is YEYZIFPYTUKPHO-YZSQISJMSA-N. The full InChI is InChI=1S/C30H25N3O4/c1-20-7-6-11-25(15-20)31-28(34)18-33-29(35)26(32-30(33)36)17-24-10-4-5-12-27(24)37-19-21-13-14-22-8-2-3-9-23(22)16-21/h2-17H,18-19H2,1H3,(H,31,34)(H,32,36)/b26-17+.

What are the key properties of N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 491.55 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 126107889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).