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

C27H27N3O6 — CID 41001956

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

N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 41001956) has the molecular formula C27H27N3O6 and a molecular weight of 489.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• PubChem CID: 41001956
• Molecular Formula: C27H27N3O6
• Molecular Weight: 489.53 g/mol
• Exact Mass: 489.19
• IUPAC Name: N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• SMILES: COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2cccc(OC)c2)cc1
• InChI: InChI=1S/C27H27N3O6/c1-34-21-11-7-19(8-12-21)28-25(31)16-24-26(32)30(20-9-13-22(35-2)14-10-20)27(33)29(24)17-18-5-4-6-23(15-18)36-3/h4-15,24H,16-17H2,1-3H3,(H,28,31)/t24-/m1/s1
• InChIKey: CFDBDHNMENMCAZ-XMMPIXPASA-N
• XLogP: 4.08
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.53
LogP ≤ 5	4.08
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-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The IUPAC name of N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 41001956) is N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

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

The canonical SMILES for N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2cccc(OC)c2)cc1.

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

The InChIKey is CFDBDHNMENMCAZ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H27N3O6/c1-34-21-11-7-19(8-12-21)28-25(31)16-24-26(32)30(20-9-13-22(35-2)14-10-20)27(33)29(24)17-18-5-4-6-23(15-18)36-3/h4-15,24H,16-17H2,1-3H3,(H,28,31)/t24-/m1/s1.

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

N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 489.53 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 41001956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).