1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione

C12H22N2O3 — CID 163515264

IUPAC1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione
SMILESCOCN1C(=O)CN(CCCC(C)(C)C)C1=O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)6-5-7-13-8-10(15)14(9-17-4)11(13)16/h5-9H2,1-4H3
InChIKeyOKPJRGWQASDSRM-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds5

About 1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione

1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione (PubChem CID 163515264) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione
PubChem CID163515264
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione
SMILESCOCN1C(=O)CN(CCCC(C)(C)C)C1=O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)6-5-7-13-8-10(15)14(9-17-4)11(13)16/h5-9H2,1-4H3
InChIKeyOKPJRGWQASDSRM-UHFFFAOYSA-N
XLogP1.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
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 1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione (CID 163515264) is 1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione is COCN1C(=O)CN(CCCC(C)(C)C)C1=O.
What is the InChIKey of 1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione?
The InChIKey is OKPJRGWQASDSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)6-5-7-13-8-10(15)14(9-17-4)11(13)16/h5-9H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione?
1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione has a molecular weight of 242.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 163515264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).