1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione

C12H19N3O4 — CID 56709007

IUPAC1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
SMILESCCCC1COCCN1C(=O)CN1CC(=O)NC1=O
InChIInChI=1S/C12H19N3O4/c1-2-3-9-8-19-5-4-15(9)11(17)7-14-6-10(16)13-12(14)18/h9H,2-8H2,1H3,(H,13,16,18)
InChIKeyBCHGWLPYAORQCN-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.43
Rot. Bonds4

About 1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione

1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 56709007) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
PubChem CID56709007
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
SMILESCCCC1COCCN1C(=O)CN1CC(=O)NC1=O
InChIInChI=1S/C12H19N3O4/c1-2-3-9-8-19-5-4-15(9)11(17)7-14-6-10(16)13-12(14)18/h9H,2-8H2,1H3,(H,13,16,18)
InChIKeyBCHGWLPYAORQCN-UHFFFAOYSA-N
XLogP-0.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione (CID 56709007) is 1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione is CCCC1COCCN1C(=O)CN1CC(=O)NC1=O.
What is the InChIKey of 1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is BCHGWLPYAORQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-3-9-8-19-5-4-15(9)11(17)7-14-6-10(16)13-12(14)18/h9H,2-8H2,1H3,(H,13,16,18).
What are the key properties of 1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 269.30 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-propylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56709007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).