N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide

C22H30N6O6 — CID 55511314

About N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55511314) has the molecular formula C22H30N6O6 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
• PubChem CID: 55511314
• Molecular Formula: C22H30N6O6
• Molecular Weight: 474.52 g/mol
• Exact Mass: 474.22
• IUPAC Name: N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
• SMILES: COc1ccc(C2(C)NC(=O)N(NC(=O)CN3CCN(C(=O)N4CCOCC4)CC3)C2=O)cc1
• InChI: InChI=1S/C22H30N6O6/c1-22(16-3-5-17(33-2)6-4-16)19(30)28(20(31)23-22)24-18(29)15-25-7-9-26(10-8-25)21(32)27-11-13-34-14-12-27/h3-6H,7-15H2,1-2H3,(H,23,31)(H,24,29)
• InChIKey: CRAOCBHFLQWBCY-UHFFFAOYSA-N
• XLogP: -0.44
• TPSA: 123.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.52
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-(morpholine-4-carbonyl)piperazin-1-yl]acetamide?

The IUPAC name of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide (CID 55511314) is N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide.

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

The canonical SMILES for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide is COc1ccc(C2(C)NC(=O)N(NC(=O)CN3CCN(C(=O)N4CCOCC4)CC3)C2=O)cc1.

What is the InChIKey of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide?

The InChIKey is CRAOCBHFLQWBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O6/c1-22(16-3-5-17(33-2)6-4-16)19(30)28(20(31)23-22)24-18(29)15-25-7-9-26(10-8-25)21(32)27-11-13-34-14-12-27/h3-6H,7-15H2,1-2H3,(H,23,31)(H,24,29).

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

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 474.52 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-(morpholine-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55511314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).