2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C25H31N3O7 — CID 55403273

About 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 55403273) has the molecular formula C25H31N3O7 and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
• PubChem CID: 55403273
• Molecular Formula: C25H31N3O7
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.22
• IUPAC Name: 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
• SMILES: COc1ccc(CCC2(C)NC(=O)N(CC(=O)NCc3cc(OC)c(OC)c(OC)c3)C2=O)cc1
• InChI: InChI=1S/C25H31N3O7/c1-25(11-10-16-6-8-18(32-2)9-7-16)23(30)28(24(31)27-25)15-21(29)26-14-17-12-19(33-3)22(35-5)20(13-17)34-4/h6-9,12-13H,10-11,14-15H2,1-5H3,(H,26,29)(H,27,31)
• InChIKey: GVDHXHTZWGXGRJ-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 115.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	2.28
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 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?

The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 55403273) is 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

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

The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1ccc(CCC2(C)NC(=O)N(CC(=O)NCc3cc(OC)c(OC)c(OC)c3)C2=O)cc1.

What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?

The InChIKey is GVDHXHTZWGXGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O7/c1-25(11-10-16-6-8-18(32-2)9-7-16)23(30)28(24(31)27-25)15-21(29)26-14-17-12-19(33-3)22(35-5)20(13-17)34-4/h6-9,12-13H,10-11,14-15H2,1-5H3,(H,26,29)(H,27,31).

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

2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 485.54 g/mol, XLogP of 2.28, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55403273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).