(3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid

C22H31F3N2O5 — CID 155843572

About (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid

(3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155843572) has the molecular formula C22H31F3N2O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155843572
• Molecular Formula: C22H31F3N2O5
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.22
• IUPAC Name: (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: CCOc1cccc(C(=O)N2CCC3(CC2)CC(COC)N(C)C3)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H30N2O3.C2HF3O2/c1-4-25-18-7-5-6-16(12-18)19(23)22-10-8-20(9-11-22)13-17(14-24-3)21(2)15-20;3-2(4,5)1(6)7/h5-7,12,17H,4,8-11,13-15H2,1-3H3;(H,6,7)
• InChIKey: JUIWVGIBMPDYOR-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid (CID 155843572) is (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid is CCOc1cccc(C(=O)N2CCC3(CC2)CC(COC)N(C)C3)c1.O=C(O)C(F)(F)F.

What is the InChIKey of (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is JUIWVGIBMPDYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.C2HF3O2/c1-4-25-18-7-5-6-16(12-18)19(23)22-10-8-20(9-11-22)13-17(14-24-3)21(2)15-20;3-2(4,5)1(6)7/h5-7,12,17H,4,8-11,13-15H2,1-3H3;(H,6,7).

What are the key properties of (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

(3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 460.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-ethoxyphenyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155843572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).