1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione

C12H22N2O2 — CID 59110993

IUPAC1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CC(C)(CC)CC)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-12(4,6-2)9-14-10(15)8-13(7-3)11(14)16/h5-9H2,1-4H3
InChIKeyLGOWFFLZQFLZMX-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.10
Rot. Bonds5

About 1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione

1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione (PubChem CID 59110993) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione
PubChem CID59110993
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CC(C)(CC)CC)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-12(4,6-2)9-14-10(15)8-13(7-3)11(14)16/h5-9H2,1-4H3
InChIKeyLGOWFFLZQFLZMX-UHFFFAOYSA-N
XLogP2.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione (CID 59110993) is 1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione is CCN1CC(=O)N(CC(C)(CC)CC)C1=O.
What is the InChIKey of 1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is LGOWFFLZQFLZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-12(4,6-2)9-14-10(15)8-13(7-3)11(14)16/h5-9H2,1-4H3.
What are the key properties of 1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione?
1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 226.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59110993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).