3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione

C17H26N2O7 — CID 19800385

IUPAC3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CC(COCC2CO2)OCC2CO2)C(=O)N1CC1CO1
InChIInChI=1S/C17H26N2O7/c1-17(2)15(20)18(16(21)19(17)4-12-7-23-12)3-11(24-9-14-10-26-14)5-22-6-13-8-25-13/h11-14H,3-10H2,1-2H3
InChIKeyDWMZRAVBTUWZKE-UHFFFAOYSA-N
MW370.40 g/mol
LogP-0.37
Rot. Bonds11

About 3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione

3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 19800385) has the molecular formula C17H26N2O7 and a molecular weight of 370.40 g/mol. Its IUPAC name is 3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID19800385
Molecular FormulaC17H26N2O7
Molecular Weight370.40 g/mol
Exact Mass370.17
IUPAC Name3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CC(COCC2CO2)OCC2CO2)C(=O)N1CC1CO1
InChIInChI=1S/C17H26N2O7/c1-17(2)15(20)18(16(21)19(17)4-12-7-23-12)3-11(24-9-14-10-26-14)5-22-6-13-8-25-13/h11-14H,3-10H2,1-2H3
InChIKeyDWMZRAVBTUWZKE-UHFFFAOYSA-N
XLogP-0.37
TPSA96.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione (CID 19800385) is 3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione is CC1(C)C(=O)N(CC(COCC2CO2)OCC2CO2)C(=O)N1CC1CO1.
What is the InChIKey of 3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is DWMZRAVBTUWZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O7/c1-17(2)15(20)18(16(21)19(17)4-12-7-23-12)3-11(24-9-14-10-26-14)5-22-6-13-8-25-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 370.40 g/mol, XLogP of -0.37, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 19800385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).