N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C26H22N4O7 — CID 126236866

About N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 126236866) has the molecular formula C26H22N4O7 and a molecular weight of 502.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 126236866
• Molecular Formula: C26H22N4O7
• Molecular Weight: 502.48 g/mol
• Exact Mass: 502.15
• IUPAC Name: N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O
• InChI: InChI=1S/C26H22N4O7/c1-36-23-5-3-2-4-21(23)27-24(31)15-29-25(32)22(28-26(29)33)14-17-8-12-20(13-9-17)37-16-18-6-10-19(11-7-18)30(34)35/h2-14H,15-16H2,1H3,(H,27,31)(H,28,33)/b22-14+
• InChIKey: FGPLCMJWMWWGME-HYARGMPZSA-N
• XLogP: 3.71
• TPSA: 140.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.48
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 126236866) is N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

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

The canonical SMILES for N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O.

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

The InChIKey is FGPLCMJWMWWGME-HYARGMPZSA-N. The full InChI is InChI=1S/C26H22N4O7/c1-36-23-5-3-2-4-21(23)27-24(31)15-29-25(32)22(28-26(29)33)14-17-8-12-20(13-9-17)37-16-18-6-10-19(11-7-18)30(34)35/h2-14H,15-16H2,1H3,(H,27,31)(H,28,33)/b22-14+.

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

N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 502.48 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 126236866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).