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

C22H31ClN2O3 — CID 3077246

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

8-[2-(4-chlorophenyl)ethyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077246) has the molecular formula C22H31ClN2O3 and a molecular weight of 406.95 g/mol. Its IUPAC name is 8-[2-(4-chlorophenyl)ethyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-[2-(4-chlorophenyl)ethyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 3077246
• Molecular Formula: C22H31ClN2O3
• Molecular Weight: 406.95 g/mol
• Exact Mass: 406.20
• IUPAC Name: 8-[2-(4-chlorophenyl)ethyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CC1(O)N(C2CCCCC2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2
• InChI: InChI=1S/C22H31ClN2O3/c1-21(27)22(28-20(26)25(21)19-5-3-2-4-6-19)12-15-24(16-13-22)14-11-17-7-9-18(23)10-8-17/h7-10,19,27H,2-6,11-16H2,1H3
• InChIKey: XJAYQGDMCAFIRD-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 53.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.95
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 8-[2-(4-chlorophenyl)ethyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077246) is 8-[2-(4-chlorophenyl)ethyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

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

The canonical SMILES for 8-[2-(4-chlorophenyl)ethyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC1(O)N(C2CCCCC2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.

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

The InChIKey is XJAYQGDMCAFIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O3/c1-21(27)22(28-20(26)25(21)19-5-3-2-4-6-19)12-15-24(16-13-22)14-11-17-7-9-18(23)10-8-17/h7-10,19,27H,2-6,11-16H2,1H3.

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

8-[2-(4-chlorophenyl)ethyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 406.95 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(4-chlorophenyl)ethyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).