(6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid

C33H39F3N2O5 — CID 69439044

About (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid

(6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 69439044) has the molecular formula C33H39F3N2O5 and a molecular weight of 600.68 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 69439044
• Molecular Formula: C33H39F3N2O5
• Molecular Weight: 600.68 g/mol
• Exact Mass: 600.28
• IUPAC Name: (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc2cc(C(=O)N3CCC4(CCN(Cc5ccccc5OCC(C)C)C4)CC3)ccc2c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C31H38N2O3.C2HF3O2/c1-23(2)21-36-29-7-5-4-6-27(29)20-32-15-12-31(22-32)13-16-33(17-14-31)30(34)26-9-8-25-19-28(35-3)11-10-24(25)18-26;3-2(4,5)1(6)7/h4-11,18-19,23H,12-17,20-22H2,1-3H3;(H,6,7)
• InChIKey: HCQFGCUSXYQNSI-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.68
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid (CID 69439044) is (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid is COc1ccc2cc(C(=O)N3CCC4(CCN(Cc5ccccc5OCC(C)C)C4)CC3)ccc2c1.O=C(O)C(F)(F)F.

What is the InChIKey of (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is HCQFGCUSXYQNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O3.C2HF3O2/c1-23(2)21-36-29-7-5-4-6-27(29)20-32-15-12-31(22-32)13-16-33(17-14-31)30(34)26-9-8-25-19-28(35-3)11-10-24(25)18-26;3-2(4,5)1(6)7/h4-11,18-19,23H,12-17,20-22H2,1-3H3;(H,6,7).

What are the key properties of (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

(6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 600.68 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methoxynaphthalen-2-yl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69439044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).