N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide

C25H32FN3O2 — CID 110162119

About N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide

N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide (PubChem CID 110162119) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
• PubChem CID: 110162119
• Molecular Formula: C25H32FN3O2
• Molecular Weight: 425.55 g/mol
• Exact Mass: 425.25
• IUPAC Name: N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
• SMILES: Cc1ccc(F)cc1NC(=O)CN1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1
• InChI: InChI=1S/C25H32FN3O2/c1-19-8-9-21(26)16-22(19)27-24(31)18-28-15-12-25(23(30)17-28)11-5-13-29(25)14-10-20-6-3-2-4-7-20/h2-4,6-9,16,23,30H,5,10-15,17-18H2,1H3,(H,27,31)/t23-,25-/m0/s1
• InChIKey: AXLMXFVKRROQLO-ZCYQVOJMSA-N
• XLogP: 3.22
• TPSA: 55.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.55
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide?

The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide (CID 110162119) is N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide.

What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide?

The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide is Cc1ccc(F)cc1NC(=O)CN1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1.

What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide?

The InChIKey is AXLMXFVKRROQLO-ZCYQVOJMSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-19-8-9-21(26)16-22(19)27-24(31)18-28-15-12-25(23(30)17-28)11-5-13-29(25)14-10-20-6-3-2-4-7-20/h2-4,6-9,16,23,30H,5,10-15,17-18H2,1H3,(H,27,31)/t23-,25-/m0/s1.

What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide?

N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 425.55 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 110162119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).