methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C18H26N5O4+ — CID 8913046

About methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8913046) has the molecular formula C18H26N5O4+ and a molecular weight of 376.44 g/mol. Its IUPAC name is methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

• Compound Name: methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
• PubChem CID: 8913046
• Molecular Formula: C18H26N5O4+
• Molecular Weight: 376.44 g/mol
• Exact Mass: 376.20
• IUPAC Name: methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
• SMILES: CC(C)NC(=O)C[NH+](C)CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O
• InChI: InChI=1S/C18H25N5O4/c1-12(2)19-14(24)10-22(4)11-15(25)21-23-16(26)18(3,20-17(23)27)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,19,24)(H,20,27)(H,21,25)/p+1/t18-/m0/s1
• InChIKey: NDFWNWSFHVYPIZ-SFHVURJKSA-O
• XLogP: -1.48
• TPSA: 112.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.44
LogP ≤ 5	-1.48
H-Bond Donors ≤ 5	4
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 methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The IUPAC name of methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8913046) is methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

What is the SMILES notation for methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The canonical SMILES for methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC(C)NC(=O)C[NH+](C)CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O.

What is the InChIKey of methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The InChIKey is NDFWNWSFHVYPIZ-SFHVURJKSA-O. The full InChI is InChI=1S/C18H25N5O4/c1-12(2)19-14(24)10-22(4)11-15(25)21-23-16(26)18(3,20-17(23)27)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,19,24)(H,20,27)(H,21,25)/p+1/t18-/m0/s1.

What are the key properties of methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 376.44 g/mol, XLogP of -1.48, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8913046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).