methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium

C21H25N4O3+ — CID 9323287

About methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium

methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium (PubChem CID 9323287) has the molecular formula C21H25N4O3+ and a molecular weight of 381.46 g/mol. Its IUPAC name is methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium.

Molecular Properties

• Compound Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium
• PubChem CID: 9323287
• Molecular Formula: C21H25N4O3+
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.19
• IUPAC Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium
• SMILES: CNC(=O)c1ccc(C[NH+](C)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1
• InChI: InChI=1S/C21H24N4O3/c1-21(17-7-5-4-6-8-17)19(27)25(20(28)23-21)14-24(3)13-15-9-11-16(12-10-15)18(26)22-2/h4-12H,13-14H2,1-3H3,(H,22,26)(H,23,28)/p+1/t21-/m1/s1
• InChIKey: XCAXGISEKUFYPC-OAQYLSRUSA-O
• XLogP: 0.49
• TPSA: 82.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	0.49
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 methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium?

The IUPAC name of methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium (CID 9323287) is methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium.

What is the SMILES notation for methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium?

The canonical SMILES for methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium is CNC(=O)c1ccc(C[NH+](C)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1.

What is the InChIKey of methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium?

The InChIKey is XCAXGISEKUFYPC-OAQYLSRUSA-O. The full InChI is InChI=1S/C21H24N4O3/c1-21(17-7-5-4-6-8-17)19(27)25(20(28)23-21)14-24(3)13-15-9-11-16(12-10-15)18(26)22-2/h4-12H,13-14H2,1-3H3,(H,22,26)(H,23,28)/p+1/t21-/m1/s1.

What are the key properties of methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium?

methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium has a molecular weight of 381.46 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]azanium is sourced from PubChem (CID 9323287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).