3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione

C9H16N2O3 — CID 81081691

IUPAC3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione
SMILESCCN1C(=O)NC(CCCOC)C1=O
InChIInChI=1S/C9H16N2O3/c1-3-11-8(12)7(10-9(11)13)5-4-6-14-2/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyIMDUANLYIVMXLG-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.35
Rot. Bonds5

About 3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione

3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione (PubChem CID 81081691) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione
PubChem CID81081691
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione
SMILESCCN1C(=O)NC(CCCOC)C1=O
InChIInChI=1S/C9H16N2O3/c1-3-11-8(12)7(10-9(11)13)5-4-6-14-2/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyIMDUANLYIVMXLG-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione (CID 81081691) is 3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione is CCN1C(=O)NC(CCCOC)C1=O.
What is the InChIKey of 3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione?
The InChIKey is IMDUANLYIVMXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-11-8(12)7(10-9(11)13)5-4-6-14-2/h7H,3-6H2,1-2H3,(H,10,13).
What are the key properties of 3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione?
3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione has a molecular weight of 200.24 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 81081691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).