5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione

C18H22N2O4 — CID 166228883

IUPAC5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione
SMILESCc1cccc(C)c1C1NC(=O)N(C2CCC3(C2)OCCO3)C1=O
InChIInChI=1S/C18H22N2O4/c1-11-4-3-5-12(2)14(11)15-16(21)20(17(22)19-15)13-6-7-18(10-13)23-8-9-24-18/h3-5,13,15H,6-10H2,1-2H3,(H,19,22)
InChIKeyLWKGZTQMCXFFIB-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.19
Rot. Bonds2

About 5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione

5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione (PubChem CID 166228883) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione
PubChem CID166228883
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione
SMILESCc1cccc(C)c1C1NC(=O)N(C2CCC3(C2)OCCO3)C1=O
InChIInChI=1S/C18H22N2O4/c1-11-4-3-5-12(2)14(11)15-16(21)20(17(22)19-15)13-6-7-18(10-13)23-8-9-24-18/h3-5,13,15H,6-10H2,1-2H3,(H,19,22)
InChIKeyLWKGZTQMCXFFIB-UHFFFAOYSA-N
XLogP2.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.19
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-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione (CID 166228883) is 5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione is Cc1cccc(C)c1C1NC(=O)N(C2CCC3(C2)OCCO3)C1=O.
What is the InChIKey of 5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione?
The InChIKey is LWKGZTQMCXFFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-4-3-5-12(2)14(11)15-16(21)20(17(22)19-15)13-6-7-18(10-13)23-8-9-24-18/h3-5,13,15H,6-10H2,1-2H3,(H,19,22).
What are the key properties of 5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione?
5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione has a molecular weight of 330.38 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 166228883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).