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

C29H31N3O6 — CID 28701853

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

N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 28701853) has the molecular formula C29H31N3O6 and a molecular weight of 517.58 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• PubChem CID: 28701853
• Molecular Formula: C29H31N3O6
• Molecular Weight: 517.58 g/mol
• Exact Mass: 517.22
• IUPAC Name: N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• SMILES: CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1
• InChI: InChI=1S/C29H31N3O6/c1-4-38-25-13-7-21(8-14-25)30-27(33)19-26-28(34)32(22-9-15-24(37-3)16-10-22)29(35)31(26)18-17-20-5-11-23(36-2)12-6-20/h5-16,26H,4,17-19H2,1-3H3,(H,30,33)/t26-/m1/s1
• InChIKey: GFRJXFNSXUJDNI-AREMUKBSSA-N
• XLogP: 4.51
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.58
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
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-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The IUPAC name of N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 28701853) is N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

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

The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1.

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

The InChIKey is GFRJXFNSXUJDNI-AREMUKBSSA-N. The full InChI is InChI=1S/C29H31N3O6/c1-4-38-25-13-7-21(8-14-25)30-27(33)19-26-28(34)32(22-9-15-24(37-3)16-10-22)29(35)31(26)18-17-20-5-11-23(36-2)12-6-20/h5-16,26H,4,17-19H2,1-3H3,(H,30,33)/t26-/m1/s1.

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

N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 517.58 g/mol, XLogP of 4.51, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 28701853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).