N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide

C24H27N4O3+ — CID 8754360

About N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide

N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide (PubChem CID 8754360) has the molecular formula C24H27N4O3+ and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
• PubChem CID: 8754360
• Molecular Formula: C24H27N4O3+
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.21
• IUPAC Name: N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
• SMILES: CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CC=C(c3ccccc3)CC2)C1=O
• InChI: InChI=1S/C24H26N4O3/c1-2-24(20-11-7-4-8-12-20)22(30)28(23(31)25-24)26-21(29)17-27-15-13-19(14-16-27)18-9-5-3-6-10-18/h3-13H,2,14-17H2,1H3,(H,25,31)(H,26,29)/p+1/t24-/m0/s1
• InChIKey: NYLKPSJUDAGURS-DEOSSOPVSA-O
• XLogP: 1.25
• TPSA: 82.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide?

The IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide (CID 8754360) is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide.

What is the SMILES notation for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide?

The canonical SMILES for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CC=C(c3ccccc3)CC2)C1=O.

What is the InChIKey of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide?

The InChIKey is NYLKPSJUDAGURS-DEOSSOPVSA-O. The full InChI is InChI=1S/C24H26N4O3/c1-2-24(20-11-7-4-8-12-20)22(30)28(23(31)25-24)26-21(29)17-27-15-13-19(14-16-27)18-9-5-3-6-10-18/h3-13H,2,14-17H2,1H3,(H,25,31)(H,26,29)/p+1/t24-/m0/s1.

What are the key properties of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide?

N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide has a molecular weight of 419.51 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8754360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).