5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione

C14H18N2O4 — CID 146142126

IUPAC5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CCC3COC3)C2=O)o1
InChIInChI=1S/C14H18N2O4/c1-9-3-4-11(20-9)14(2)12(17)16(13(18)15-14)6-5-10-7-19-8-10/h3-4,10H,5-8H2,1-2H3,(H,15,18)
InChIKeyADROKQZCSHJRCD-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.39
Rot. Bonds4

About 5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione

5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 146142126) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione
PubChem CID146142126
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CCC3COC3)C2=O)o1
InChIInChI=1S/C14H18N2O4/c1-9-3-4-11(20-9)14(2)12(17)16(13(18)15-14)6-5-10-7-19-8-10/h3-4,10H,5-8H2,1-2H3,(H,15,18)
InChIKeyADROKQZCSHJRCD-UHFFFAOYSA-N
XLogP1.39
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione (CID 146142126) is 5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione is Cc1ccc(C2(C)NC(=O)N(CCC3COC3)C2=O)o1.
What is the InChIKey of 5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is ADROKQZCSHJRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-3-4-11(20-9)14(2)12(17)16(13(18)15-14)6-5-10-7-19-8-10/h3-4,10H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione?
5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146142126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).