1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione

C11H20N2O3 — CID 103037387

IUPAC1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCOC(C)(C)CCN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H20N2O3/c1-10(2,16-5)6-7-13-9(15)12-8(14)11(13,3)4/h6-7H2,1-5H3,(H,12,14,15)
InChIKeyDNZANDJCZXAGKM-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds4

About 1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione

1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 103037387) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID103037387
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCOC(C)(C)CCN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H20N2O3/c1-10(2,16-5)6-7-13-9(15)12-8(14)11(13,3)4/h6-7H2,1-5H3,(H,12,14,15)
InChIKeyDNZANDJCZXAGKM-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
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-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione (CID 103037387) is 1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione is COC(C)(C)CCN1C(=O)NC(=O)C1(C)C.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is DNZANDJCZXAGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,16-5)6-7-13-9(15)12-8(14)11(13,3)4/h6-7H2,1-5H3,(H,12,14,15).
What are the key properties of 1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione?
1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 228.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 103037387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).