N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C26H31N5O4 — CID 24565232

About N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 24565232) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
• PubChem CID: 24565232
• Molecular Formula: C26H31N5O4
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.24
• IUPAC Name: N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
• SMILES: COc1ccc(C2(C)NC(=O)N(NC(=O)CN3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1
• InChI: InChI=1S/C26H31N5O4/c1-26(21-10-12-22(35-2)13-11-21)24(33)31(25(34)27-26)28-23(32)19-30-17-15-29(16-18-30)14-6-9-20-7-4-3-5-8-20/h3-13H,14-19H2,1-2H3,(H,27,34)(H,28,32)/b9-6+
• InChIKey: OJYQNEZEZKGCTD-RMKNXTFCSA-N
• XLogP: 1.82
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

The IUPAC name of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 24565232) is N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is COc1ccc(C2(C)NC(=O)N(NC(=O)CN3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1.

What is the InChIKey of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

The InChIKey is OJYQNEZEZKGCTD-RMKNXTFCSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-26(21-10-12-22(35-2)13-11-21)24(33)31(25(34)27-26)28-23(32)19-30-17-15-29(16-18-30)14-6-9-20-7-4-3-5-8-20/h3-13H,14-19H2,1-2H3,(H,27,34)(H,28,32)/b9-6+.

What are the key properties of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 477.57 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24565232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).