[2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

C25H37N3O6 — CID 34879072

About [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

[2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 34879072) has the molecular formula C25H37N3O6 and a molecular weight of 475.59 g/mol. Its IUPAC name is [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

• Compound Name: [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
• PubChem CID: 34879072
• Molecular Formula: C25H37N3O6
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.27
• IUPAC Name: [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
• SMILES: CC[C@]1(C)NC(=O)N(NC(=O)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O
• InChI: InChI=1S/C25H37N3O6/c1-9-25(8)21(32)28(22(33)26-25)27-18(29)14-34-19(30)11-10-15-12-16(23(2,3)4)20(31)17(13-15)24(5,6)7/h12-13,31H,9-11,14H2,1-8H3,(H,26,33)(H,27,29)/t25-/m0/s1
• InChIKey: WCMMLOPOZYMVRR-VWLOTQADSA-N
• XLogP: 3.21
• TPSA: 125.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The IUPAC name of [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (CID 34879072) is [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

What is the SMILES notation for [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The canonical SMILES for [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is CC[C@]1(C)NC(=O)N(NC(=O)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O.

What is the InChIKey of [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The InChIKey is WCMMLOPOZYMVRR-VWLOTQADSA-N. The full InChI is InChI=1S/C25H37N3O6/c1-9-25(8)21(32)28(22(33)26-25)27-18(29)14-34-19(30)11-10-15-12-16(23(2,3)4)20(31)17(13-15)24(5,6)7/h12-13,31H,9-11,14H2,1-8H3,(H,26,33)(H,27,29)/t25-/m0/s1.

What are the key properties of [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

[2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 475.59 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 34879072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).