5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione

C16H21N3O4 — CID 86783021

IUPAC5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2ccnc(OC3CCOCC3)c2)C1=O
InChIInChI=1S/C16H21N3O4/c1-16(2)14(20)19(15(21)18-16)10-11-3-6-17-13(9-11)23-12-4-7-22-8-5-12/h3,6,9,12H,4-5,7-8,10H2,1-2H3,(H,18,21)
InChIKeyKSDSJUYUALEOOX-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.47
Rot. Bonds4

About 5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione (PubChem CID 86783021) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione
PubChem CID86783021
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2ccnc(OC3CCOCC3)c2)C1=O
InChIInChI=1S/C16H21N3O4/c1-16(2)14(20)19(15(21)18-16)10-11-3-6-17-13(9-11)23-12-4-7-22-8-5-12/h3,6,9,12H,4-5,7-8,10H2,1-2H3,(H,18,21)
InChIKeyKSDSJUYUALEOOX-UHFFFAOYSA-N
XLogP1.47
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione (CID 86783021) is 5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(Cc2ccnc(OC3CCOCC3)c2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione?
The InChIKey is KSDSJUYUALEOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(2)14(20)19(15(21)18-16)10-11-3-6-17-13(9-11)23-12-4-7-22-8-5-12/h3,6,9,12H,4-5,7-8,10H2,1-2H3,(H,18,21).
What are the key properties of 5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione has a molecular weight of 319.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 86783021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).