8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H23ClN2O2 — CID 3077278

About 8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077278) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 3077278
• Molecular Formula: C18H23ClN2O2
• Molecular Weight: 334.85 g/mol
• Exact Mass: 334.14
• IUPAC Name: 8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: C=C1N(CC)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2
• InChI: InChI=1S/C18H23ClN2O2/c1-3-21-14(2)18(23-17(21)22)9-12-20(13-10-18)11-8-15-4-6-16(19)7-5-15/h4-7H,2-3,8-13H2,1H3
• InChIKey: YFXGZOCQXUSXJU-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.85
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077278) is 8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

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

The canonical SMILES for 8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(CC)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.

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

The InChIKey is YFXGZOCQXUSXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-3-21-14(2)18(23-17(21)22)9-12-20(13-10-18)11-8-15-4-6-16(19)7-5-15/h4-7H,2-3,8-13H2,1H3.

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

8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 334.85 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).