[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C15H24N4O6 — CID 2487006

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)NC(=O)NC(C)C)C1=O
InChIInChI=1S/C15H24N4O6/c1-5-15(6-2)12(22)19(14(24)18-15)7-11(21)25-8-10(20)17-13(23)16-9(3)4/h9H,5-8H2,1-4H3,(H,18,24)(H2,16,17,20,23)
InChIKeyJYKWWTIMVKPGAS-UHFFFAOYSA-N
MW356.38 g/mol
LogP-0.13
Rot. Bonds7

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2487006) has the molecular formula C15H24N4O6 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2487006
Molecular FormulaC15H24N4O6
Molecular Weight356.38 g/mol
Exact Mass356.17
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)NC(=O)NC(C)C)C1=O
InChIInChI=1S/C15H24N4O6/c1-5-15(6-2)12(22)19(14(24)18-15)7-11(21)25-8-10(20)17-13(23)16-9(3)4/h9H,5-8H2,1-4H3,(H,18,24)(H2,16,17,20,23)
InChIKeyJYKWWTIMVKPGAS-UHFFFAOYSA-N
XLogP-0.13
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
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-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 2487006) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NC(=O)NC(C)C)C1=O.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is JYKWWTIMVKPGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O6/c1-5-15(6-2)12(22)19(14(24)18-15)7-11(21)25-8-10(20)17-13(23)16-9(3)4/h9H,5-8H2,1-4H3,(H,18,24)(H2,16,17,20,23).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 356.38 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2487006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).