3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

C31H40N4O8 — CID 92853467

About 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 92853467) has the molecular formula C31H40N4O8 and a molecular weight of 596.68 g/mol. Its IUPAC name is 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 92853467
• Molecular Formula: C31H40N4O8
• Molecular Weight: 596.68 g/mol
• Exact Mass: 596.28
• IUPAC Name: 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC1(C)NC(=O)N(C[C@H](O)COc2ccc(C(C)(C)c3ccc(OC[C@H](O)CN4C(=O)NC(C)(C)C4=O)cc3)cc2)C1=O
• InChI: InChI=1S/C31H40N4O8/c1-29(2,19-7-11-23(12-8-19)42-17-21(36)15-34-25(38)30(3,4)32-27(34)40)20-9-13-24(14-10-20)43-18-22(37)16-35-26(39)31(5,6)33-28(35)41/h7-14,21-22,36-37H,15-18H2,1-6H3,(H,32,40)(H,33,41)/t21-,22+
• InChIKey: LBQAXSFSMVPISK-SZPZYZBQSA-N
• XLogP: 2.15
• TPSA: 157.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.68
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 92853467) is 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C[C@H](O)COc2ccc(C(C)(C)c3ccc(OC[C@H](O)CN4C(=O)NC(C)(C)C4=O)cc3)cc2)C1=O.

What is the InChIKey of 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is LBQAXSFSMVPISK-SZPZYZBQSA-N. The full InChI is InChI=1S/C31H40N4O8/c1-29(2,19-7-11-23(12-8-19)42-17-21(36)15-34-25(38)30(3,4)32-27(34)40)20-9-13-24(14-10-20)43-18-22(37)16-35-26(39)31(5,6)33-28(35)41/h7-14,21-22,36-37H,15-18H2,1-6H3,(H,32,40)(H,33,41)/t21-,22+.

What are the key properties of 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?

3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 596.68 g/mol, XLogP of 2.15, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 92853467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).