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

C17H24N5O4+ — CID 8694883

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

[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium (PubChem CID 8694883) has the molecular formula C17H24N5O4+ and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
• PubChem CID: 8694883
• Molecular Formula: C17H24N5O4+
• Molecular Weight: 362.41 g/mol
• Exact Mass: 362.18
• IUPAC Name: [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
• SMILES: CN(C)C(=O)C[NH+](C)CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O
• InChI: InChI=1S/C17H23N5O4/c1-17(12-8-6-5-7-9-12)15(25)22(16(26)18-17)19-13(23)10-21(4)11-14(24)20(2)3/h5-9H,10-11H2,1-4H3,(H,18,26)(H,19,23)/p+1/t17-/m1/s1
• InChIKey: BWCOWQQUMZDKLC-QGZVFWFLSA-O
• XLogP: -1.91
• TPSA: 103.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.41
LogP ≤ 5	-1.91
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 [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium?

The IUPAC name of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium (CID 8694883) is [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium.

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

The canonical SMILES for [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium is CN(C)C(=O)C[NH+](C)CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O.

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

The InChIKey is BWCOWQQUMZDKLC-QGZVFWFLSA-O. The full InChI is InChI=1S/C17H23N5O4/c1-17(12-8-6-5-7-9-12)15(25)22(16(26)18-17)19-13(23)10-21(4)11-14(24)20(2)3/h5-9H,10-11H2,1-4H3,(H,18,26)(H,19,23)/p+1/t17-/m1/s1.

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

[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium has a molecular weight of 362.41 g/mol, XLogP of -1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8694883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).