(4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium

C21H25N4O4+ — CID 8793202

About (4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium

(4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium (PubChem CID 8793202) has the molecular formula C21H25N4O4+ and a molecular weight of 397.46 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: (4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
• PubChem CID: 8793202
• Molecular Formula: C21H25N4O4+
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.19
• IUPAC Name: (4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
• SMILES: COc1ccc(C[NH+](C)CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1
• InChI: InChI=1S/C21H24N4O4/c1-21(16-7-5-4-6-8-16)19(27)25(20(28)22-21)23-18(26)14-24(2)13-15-9-11-17(29-3)12-10-15/h4-12H,13-14H2,1-3H3,(H,22,28)(H,23,26)/p+1/t21-/m1/s1
• InChIKey: GXLOEJFIGMTAFY-OAQYLSRUSA-O
• XLogP: 0.21
• TPSA: 92.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	0.21
H-Bond Donors ≤ 5	3
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 (4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium?

The IUPAC name of (4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium (CID 8793202) is (4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium.

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

The canonical SMILES for (4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium is COc1ccc(C[NH+](C)CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1.

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

The InChIKey is GXLOEJFIGMTAFY-OAQYLSRUSA-O. The full InChI is InChI=1S/C21H24N4O4/c1-21(16-7-5-4-6-8-16)19(27)25(20(28)22-21)23-18(26)14-24(2)13-15-9-11-17(29-3)12-10-15/h4-12H,13-14H2,1-3H3,(H,22,28)(H,23,26)/p+1/t21-/m1/s1.

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

(4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium has a molecular weight of 397.46 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8793202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).