3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H25FN2O3 — CID 3077316

About 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077316) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 3077316
• Molecular Formula: C18H25FN2O3
• Molecular Weight: 336.41 g/mol
• Exact Mass: 336.18
• IUPAC Name: 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CCN1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O
• InChI: InChI=1S/C18H25FN2O3/c1-3-21-16(22)24-18(17(21,2)23)9-12-20(13-10-18)11-8-14-4-6-15(19)7-5-14/h4-7,23H,3,8-13H2,1-2H3
• InChIKey: VRQDXCMKHWFAFO-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 53.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.41
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077316) is 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O.

What is the InChIKey of 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is VRQDXCMKHWFAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-3-21-16(22)24-18(17(21,2)23)9-12-20(13-10-18)11-8-14-4-6-15(19)7-5-14/h4-7,23H,3,8-13H2,1-2H3.

What are the key properties of 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 336.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).