3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione

C22H32N4O8 — CID 20553845

IUPAC3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CC(CC2CO2)C(O)N2C(=O)N(CC3CO3)C(C)(C)C2=O)C(=O)N1CC1CO1
InChIInChI=1S/C22H32N4O8/c1-21(2)17(28)23(19(30)24(21)7-14-10-33-14)6-12(5-13-9-32-13)16(27)26-18(29)22(3,4)25(20(26)31)8-15-11-34-15/h12-16,27H,5-11H2,1-4H3
InChIKeyKLWHPTWDQPPMLU-UHFFFAOYSA-N
MW480.52 g/mol
LogP-0.41
Rot. Bonds10

About 3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione

3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 20553845) has the molecular formula C22H32N4O8 and a molecular weight of 480.52 g/mol. Its IUPAC name is 3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID20553845
Molecular FormulaC22H32N4O8
Molecular Weight480.52 g/mol
Exact Mass480.22
IUPAC Name3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CC(CC2CO2)C(O)N2C(=O)N(CC3CO3)C(C)(C)C2=O)C(=O)N1CC1CO1
InChIInChI=1S/C22H32N4O8/c1-21(2)17(28)23(19(30)24(21)7-14-10-33-14)6-12(5-13-9-32-13)16(27)26-18(29)22(3,4)25(20(26)31)8-15-11-34-15/h12-16,27H,5-11H2,1-4H3
InChIKeyKLWHPTWDQPPMLU-UHFFFAOYSA-N
XLogP-0.41
TPSA139.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione (CID 20553845) is 3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione is CC1(C)C(=O)N(CC(CC2CO2)C(O)N2C(=O)N(CC3CO3)C(C)(C)C2=O)C(=O)N1CC1CO1.
What is the InChIKey of 3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is KLWHPTWDQPPMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O8/c1-21(2)17(28)23(19(30)24(21)7-14-10-33-14)6-12(5-13-9-32-13)16(27)26-18(29)22(3,4)25(20(26)31)8-15-11-34-15/h12-16,27H,5-11H2,1-4H3.
What are the key properties of 3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 480.52 g/mol, XLogP of -0.41, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 20553845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).