1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione

C13H19N3O5 — CID 4858489

IUPAC1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C13H19N3O5/c1-9(2)7-15-11(18)12(19)16(13(15)20)8-10(17)14-3-5-21-6-4-14/h9H,3-8H2,1-2H3
InChIKeyKHVLZHNLHIXESL-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.71
Rot. Bonds4

About 1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione

1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione (PubChem CID 4858489) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione
PubChem CID4858489
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C13H19N3O5/c1-9(2)7-15-11(18)12(19)16(13(15)20)8-10(17)14-3-5-21-6-4-14/h9H,3-8H2,1-2H3
InChIKeyKHVLZHNLHIXESL-UHFFFAOYSA-N
XLogP-0.71
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
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-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione (CID 4858489) is 1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione is CC(C)CN1C(=O)C(=O)N(CC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione?
The InChIKey is KHVLZHNLHIXESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-9(2)7-15-11(18)12(19)16(13(15)20)8-10(17)14-3-5-21-6-4-14/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione?
1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione has a molecular weight of 297.31 g/mol, XLogP of -0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 4858489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).