ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate

C8H13N3O5 — CID 24972922

IUPACethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate
SMILESCCOC(=O)NOCCC1NC(=O)NC1=O
InChIInChI=1S/C8H13N3O5/c1-2-15-8(14)11-16-4-3-5-6(12)10-7(13)9-5/h5H,2-4H2,1H3,(H,11,14)(H2,9,10,12,13)
InChIKeyVYPCDECMRZBOJE-UHFFFAOYSA-N
MW231.21 g/mol
LogP-0.74
Rot. Bonds5

About ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate

ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate (PubChem CID 24972922) has the molecular formula C8H13N3O5 and a molecular weight of 231.21 g/mol. Its IUPAC name is ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate
PubChem CID24972922
Molecular FormulaC8H13N3O5
Molecular Weight231.21 g/mol
Exact Mass231.09
IUPAC Nameethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate
SMILESCCOC(=O)NOCCC1NC(=O)NC1=O
InChIInChI=1S/C8H13N3O5/c1-2-15-8(14)11-16-4-3-5-6(12)10-7(13)9-5/h5H,2-4H2,1H3,(H,11,14)(H2,9,10,12,13)
InChIKeyVYPCDECMRZBOJE-UHFFFAOYSA-N
XLogP-0.74
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate?
The IUPAC name of ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate (CID 24972922) is ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate.
What is the SMILES notation for ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate?
The canonical SMILES for ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate is CCOC(=O)NOCCC1NC(=O)NC1=O.
What is the InChIKey of ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate?
The InChIKey is VYPCDECMRZBOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5/c1-2-15-8(14)11-16-4-3-5-6(12)10-7(13)9-5/h5H,2-4H2,1H3,(H,11,14)(H2,9,10,12,13).
What are the key properties of ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate?
ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate has a molecular weight of 231.21 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate is sourced from PubChem (CID 24972922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).