3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione

C12H22N2O3 — CID 126615558

IUPAC3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCOC(C)CC(C)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O3/c1-8(6-9(2)17-5)7-14-10(15)12(3,4)13-11(14)16/h8-9H,6-7H2,1-5H3,(H,13,16)
InChIKeyALRBVCBVOQUCAO-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.38
Rot. Bonds5

About 3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione

3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 126615558) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID126615558
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCOC(C)CC(C)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O3/c1-8(6-9(2)17-5)7-14-10(15)12(3,4)13-11(14)16/h8-9H,6-7H2,1-5H3,(H,13,16)
InChIKeyALRBVCBVOQUCAO-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione (CID 126615558) is 3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione is COC(C)CC(C)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ALRBVCBVOQUCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(6-9(2)17-5)7-14-10(15)12(3,4)13-11(14)16/h8-9H,6-7H2,1-5H3,(H,13,16).
What are the key properties of 3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 242.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 126615558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).