N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide

C30H34N6O6 — CID 126498858

About N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide

N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide (PubChem CID 126498858) has the molecular formula C30H34N6O6 and a molecular weight of 574.64 g/mol. Its IUPAC name is N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
• PubChem CID: 126498858
• Molecular Formula: C30H34N6O6
• Molecular Weight: 574.64 g/mol
• Exact Mass: 574.25
• IUPAC Name: N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
• SMILES: Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3C(=O)C(=O)N(C)C3O)cc2NC(=O)c2ccco2)CC1
• InChI: InChI=1S/C30H34N6O6/c1-20-7-3-4-8-23(20)34-14-16-35(17-15-34)24-11-10-21(19-22(24)32-27(38)25-9-5-18-42-25)26(37)31-12-6-13-36-29(40)28(39)33(2)30(36)41/h3-5,7-11,18-19,30,41H,6,12-17H2,1-2H3,(H,31,37)(H,32,38)
• InChIKey: HJZAUECNYSAHGP-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 138.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.64
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide (CID 126498858) is N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide is Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3C(=O)C(=O)N(C)C3O)cc2NC(=O)c2ccco2)CC1.

What is the InChIKey of N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

The InChIKey is HJZAUECNYSAHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O6/c1-20-7-3-4-8-23(20)34-14-16-35(17-15-34)24-11-10-21(19-22(24)32-27(38)25-9-5-18-42-25)26(37)31-12-6-13-36-29(40)28(39)33(2)30(36)41/h3-5,7-11,18-19,30,41H,6,12-17H2,1-2H3,(H,31,37)(H,32,38).

What are the key properties of N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 574.64 g/mol, XLogP of 1.86, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 126498858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).