7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C24H34F3N3O4 — CID 123502465

About 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 123502465) has the molecular formula C24H34F3N3O4 and a molecular weight of 485.55 g/mol. Its IUPAC name is 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• PubChem CID: 123502465
• Molecular Formula: C24H34F3N3O4
• Molecular Weight: 485.55 g/mol
• Exact Mass: 485.25
• IUPAC Name: 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• SMILES: CCC1(c2cc(OC)ccc2C)CC2(CCC1(O)C(C)N(C)CCC(F)(F)F)NC(=O)NC2=O
• InChI: InChI=1S/C24H34F3N3O4/c1-6-21(18-13-17(34-5)8-7-15(18)2)14-22(19(31)28-20(32)29-22)9-10-23(21,33)16(3)30(4)12-11-24(25,26)27/h7-8,13,16,33H,6,9-12,14H2,1-5H3,(H2,28,29,31,32)
• InChIKey: MHIBDERUROQSKQ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.55
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 123502465) is 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1(c2cc(OC)ccc2C)CC2(CCC1(O)C(C)N(C)CCC(F)(F)F)NC(=O)NC2=O.

What is the InChIKey of 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The InChIKey is MHIBDERUROQSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N3O4/c1-6-21(18-13-17(34-5)8-7-15(18)2)14-22(19(31)28-20(32)29-22)9-10-23(21,33)16(3)30(4)12-11-24(25,26)27/h7-8,13,16,33H,6,9-12,14H2,1-5H3,(H2,28,29,31,32).

What are the key properties of 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 485.55 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-8-hydroxy-7-(5-methoxy-2-methylphenyl)-8-[1-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 123502465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).