3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione

C9H16N2O3 — CID 81082084

IUPAC3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione
SMILESCOCC1NC(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)11-7(12)6(5-14-4)10-8(11)13/h6H,5H2,1-4H3,(H,10,13)
InChIKeySUWRDBMLTXCCQE-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.35
Rot. Bonds2

About 3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione

3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione (PubChem CID 81082084) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione
PubChem CID81082084
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione
SMILESCOCC1NC(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)11-7(12)6(5-14-4)10-8(11)13/h6H,5H2,1-4H3,(H,10,13)
InChIKeySUWRDBMLTXCCQE-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-5-(methoxymethyl)imidazolidine-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-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione (CID 81082084) is 3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione is COCC1NC(=O)N(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione?
The InChIKey is SUWRDBMLTXCCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)11-7(12)6(5-14-4)10-8(11)13/h6H,5H2,1-4H3,(H,10,13).
What are the key properties of 3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione?
3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione has a molecular weight of 200.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(methoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 81082084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).