5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione

C12H20N2O3 — CID 127855251

IUPAC5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1NC(=O)N(CCC2CCCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-2-10-11(15)14(12(16)13-10)7-6-9-5-3-4-8-17-9/h9-10H,2-8H2,1H3,(H,13,16)
InChIKeyNTNFMNGABYFDKZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.28
Rot. Bonds4

About 5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione

5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 127855251) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID127855251
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1NC(=O)N(CCC2CCCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-2-10-11(15)14(12(16)13-10)7-6-9-5-3-4-8-17-9/h9-10H,2-8H2,1H3,(H,13,16)
InChIKeyNTNFMNGABYFDKZ-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione (CID 127855251) is 5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione is CCC1NC(=O)N(CCC2CCCCO2)C1=O.
What is the InChIKey of 5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is NTNFMNGABYFDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-10-11(15)14(12(16)13-10)7-6-9-5-3-4-8-17-9/h9-10H,2-8H2,1H3,(H,13,16).
What are the key properties of 5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione?
5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-(oxan-2-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 127855251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).