3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione

C12H21N3O4 — CID 647728

IUPAC3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2CCOCC2)C1=O
InChIInChI=1S/C12H21N3O4/c1-12(2)10(17)15(11(18)13-12)8-9(16)7-14-3-5-19-6-4-14/h9,16H,3-8H2,1-2H3,(H,13,18)
InChIKeyNTMQHOLHUHTIQJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.99
Rot. Bonds4

About 3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione

3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 647728) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID647728
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2CCOCC2)C1=O
InChIInChI=1S/C12H21N3O4/c1-12(2)10(17)15(11(18)13-12)8-9(16)7-14-3-5-19-6-4-14/h9,16H,3-8H2,1-2H3,(H,13,18)
InChIKeyNTMQHOLHUHTIQJ-UHFFFAOYSA-N
XLogP-0.99
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione (CID 647728) is 3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(O)CN2CCOCC2)C1=O.
What is the InChIKey of 3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is NTMQHOLHUHTIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-12(2)10(17)15(11(18)13-12)8-9(16)7-14-3-5-19-6-4-14/h9,16H,3-8H2,1-2H3,(H,13,18).
What are the key properties of 3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 271.32 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 647728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).