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

C26H27N3O4 — CID 40855215

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

2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (PubChem CID 40855215) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
• PubChem CID: 40855215
• Molecular Formula: C26H27N3O4
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.20
• IUPAC Name: 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
• SMILES: COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2cccc3ccccc23)C1=O
• InChI: InChI=1S/C26H27N3O4/c1-17(20-13-8-11-18-9-4-6-12-21(18)20)27-23(30)16-29-24(31)26(2,28-25(29)32)15-19-10-5-7-14-22(19)33-3/h4-14,17H,15-16H2,1-3H3,(H,27,30)(H,28,32)/t17-,26+/m1/s1
• InChIKey: IJXBQRVHGXOTPS-QUGAMOGWSA-N
• XLogP: 3.58
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?

The IUPAC name of 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (CID 40855215) is 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.

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

The canonical SMILES for 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide is COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2cccc3ccccc23)C1=O.

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

The InChIKey is IJXBQRVHGXOTPS-QUGAMOGWSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-17(20-13-8-11-18-9-4-6-12-21(18)20)27-23(30)16-29-24(31)26(2,28-25(29)32)15-19-10-5-7-14-22(19)33-3/h4-14,17H,15-16H2,1-3H3,(H,27,30)(H,28,32)/t17-,26+/m1/s1.

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

2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide is sourced from PubChem (CID 40855215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).