2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C24H27F3N2O3 — CID 129456681

About 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 129456681) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 129456681
• Molecular Formula: C24H27F3N2O3
• Molecular Weight: 448.49 g/mol
• Exact Mass: 448.20
• IUPAC Name: 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: O=C(CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H27F3N2O3/c25-24(26,27)19-8-4-9-20(14-19)28-22(30)16-29-12-11-23(10-5-13-32-23)21(15-29)31-17-18-6-2-1-3-7-18/h1-4,6-9,14,21H,5,10-13,15-17H2,(H,28,30)/t21-,23+/m1/s1
• InChIKey: MPSPTACRODZUPH-GGAORHGYSA-N
• XLogP: 4.48
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.49
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 129456681) is 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1.

What is the InChIKey of 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is MPSPTACRODZUPH-GGAORHGYSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c25-24(26,27)19-8-4-9-20(14-19)28-22(30)16-29-12-11-23(10-5-13-32-23)21(15-29)31-17-18-6-2-1-3-7-18/h1-4,6-9,14,21H,5,10-13,15-17H2,(H,28,30)/t21-,23+/m1/s1.

What are the key properties of 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 448.49 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 129456681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).