2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate

C13H20N2O6 — CID 20574120

IUPAC2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1C(=O)N(CCOC(C)=O)C(C)(C)C1=O
InChIInChI=1S/C13H20N2O6/c1-9(16)20-7-5-14-11(18)13(3,4)15(12(14)19)6-8-21-10(2)17/h5-8H2,1-4H3
InChIKeyLVLPGYMHTZGBRT-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.16
Rot. Bonds6

About 2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate

2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate (PubChem CID 20574120) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate
PubChem CID20574120
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1C(=O)N(CCOC(C)=O)C(C)(C)C1=O
InChIInChI=1S/C13H20N2O6/c1-9(16)20-7-5-14-11(18)13(3,4)15(12(14)19)6-8-21-10(2)17/h5-8H2,1-4H3
InChIKeyLVLPGYMHTZGBRT-UHFFFAOYSA-N
XLogP0.16
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate?
The IUPAC name of 2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate (CID 20574120) is 2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate?
The canonical SMILES for 2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate is CC(=O)OCCN1C(=O)N(CCOC(C)=O)C(C)(C)C1=O.
What is the InChIKey of 2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate?
The InChIKey is LVLPGYMHTZGBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-9(16)20-7-5-14-11(18)13(3,4)15(12(14)19)6-8-21-10(2)17/h5-8H2,1-4H3.
What are the key properties of 2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate?
2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate has a molecular weight of 300.31 g/mol, XLogP of 0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-acetyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate is sourced from PubChem (CID 20574120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).