1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione

C9H15N3O4 — CID 62845054

IUPAC1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione
SMILESCOCCN(C)CCN1C(=O)NC(=O)C1=O
InChIInChI=1S/C9H15N3O4/c1-11(5-6-16-2)3-4-12-8(14)7(13)10-9(12)15/h3-6H2,1-2H3,(H,10,13,15)
InChIKeyOAAPGLJJRBSNLN-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.36
Rot. Bonds6

About 1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione

1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione (PubChem CID 62845054) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione
PubChem CID62845054
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione
SMILESCOCCN(C)CCN1C(=O)NC(=O)C1=O
InChIInChI=1S/C9H15N3O4/c1-11(5-6-16-2)3-4-12-8(14)7(13)10-9(12)15/h3-6H2,1-2H3,(H,10,13,15)
InChIKeyOAAPGLJJRBSNLN-UHFFFAOYSA-N
XLogP-1.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione (CID 62845054) is 1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione is COCCN(C)CCN1C(=O)NC(=O)C1=O.
What is the InChIKey of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione?
The InChIKey is OAAPGLJJRBSNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-11(5-6-16-2)3-4-12-8(14)7(13)10-9(12)15/h3-6H2,1-2H3,(H,10,13,15).
What are the key properties of 1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione?
1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione has a molecular weight of 229.24 g/mol, XLogP of -1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 62845054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).