5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione

C23H31N3O6 — CID 46421297

About 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione

5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 46421297) has the molecular formula C23H31N3O6 and a molecular weight of 445.52 g/mol. Its IUPAC name is 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 46421297
• Molecular Formula: C23H31N3O6
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.22
• IUPAC Name: 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione
• SMILES: CCC1(CC)NC(=O)N(CC(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)C1=O
• InChI: InChI=1S/C23H31N3O6/c1-6-23(7-2)21(28)26(22(29)24-23)14-19(27)25-10-8-15(9-11-25)20-17(31-4)12-16(30-3)13-18(20)32-5/h8,12-13H,6-7,9-11,14H2,1-5H3,(H,24,29)
• InChIKey: RKLPQARMMUADMJ-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione (CID 46421297) is 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)C1=O.

What is the InChIKey of 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is RKLPQARMMUADMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6/c1-6-23(7-2)21(28)26(22(29)24-23)14-19(27)25-10-8-15(9-11-25)20-17(31-4)12-16(30-3)13-18(20)32-5/h8,12-13H,6-7,9-11,14H2,1-5H3,(H,24,29).

What are the key properties of 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione?

5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 445.52 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-diethyl-3-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46421297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).