3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C23H34N4O4 — CID 75489908

About 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 75489908) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

• Compound Name: 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• PubChem CID: 75489908
• Molecular Formula: C23H34N4O4
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.26
• IUPAC Name: 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• SMILES: COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1
• InChI: InChI=1S/C23H34N4O4/c1-22(2)12-16(13-23(3,4)26-22)24-19(28)11-10-18-20(29)27(21(30)25-18)14-15-6-8-17(31-5)9-7-15/h6-9,16,18,26H,10-14H2,1-5H3,(H,24,28)(H,25,30)/t18-/m0/s1
• InChIKey: AOLZZOLKOHKBCJ-SFHVURJKSA-N
• XLogP: 2.32
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?

The IUPAC name of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 75489908) is 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

What is the SMILES notation for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?

The canonical SMILES for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1.

What is the InChIKey of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?

The InChIKey is AOLZZOLKOHKBCJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-22(2)12-16(13-23(3,4)26-22)24-19(28)11-10-18-20(29)27(21(30)25-18)14-15-6-8-17(31-5)9-7-15/h6-9,16,18,26H,10-14H2,1-5H3,(H,24,28)(H,25,30)/t18-/m0/s1.

What are the key properties of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?

3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 430.55 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 75489908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).