1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione

C9H16N2O3 — CID 103037386

IUPAC1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione
SMILESCOC(C)(C)CCN1CC(=O)NC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,14-3)4-5-11-6-7(12)10-8(11)13/h4-6H2,1-3H3,(H,10,12,13)
InChIKeyYBEKHOLOROPDTE-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.35
Rot. Bonds4

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

1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione (PubChem CID 103037386) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione
PubChem CID103037386
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione
SMILESCOC(C)(C)CCN1CC(=O)NC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,14-3)4-5-11-6-7(12)10-8(11)13/h4-6H2,1-3H3,(H,10,12,13)
InChIKeyYBEKHOLOROPDTE-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Related Compounds

5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile
CID 65254881
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazolidine-2,4-dione
CID 113427526
1-(2,2-dimethoxybutyl)imidazolidine-2,4-dione
CID 67719929
1-(2-sulfanylethyl)imidazolidine-2,4-dione
CID 168970418
1-(3-methoxy-3-methylbutyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 103017037
1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 103034262
1-(2-propoxyethyl)imidazolidine-2,4-dione
CID 106458141
1-(2-aminoethyl)imidazolidine-2,4-dione;hydrochloride
CID 171692224
1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione
CID 103037387
1-(3-chloropropyl)imidazolidine-2,4-dione
CID 118050354
2-(3-methoxy-3-methylbutyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 103036588
1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione
CID 130679018

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione (CID 103037386) is 1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione is COC(C)(C)CCN1CC(=O)NC1=O.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is YBEKHOLOROPDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,14-3)4-5-11-6-7(12)10-8(11)13/h4-6H2,1-3H3,(H,10,12,13).
What are the key properties of 1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione?
1-(3-methoxy-3-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 200.24 g/mol, XLogP of 0.35, 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)imidazolidine-2,4-dione is sourced from PubChem (CID 103037386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).