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

C31H38N2O3 — CID 69428040

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

(6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 69428040) has the molecular formula C31H38N2O3 and a molecular weight of 486.66 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

• Compound Name: (6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
• PubChem CID: 69428040
• Molecular Formula: C31H38N2O3
• Molecular Weight: 486.66 g/mol
• Exact Mass: 486.29
• IUPAC Name: (6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
• SMILES: COc1ccc2cc(C(=O)N3CCC4(CCN(Cc5ccccc5OCC(C)C)CC4)C3)ccc2c1
• InChI: InChI=1S/C31H38N2O3/c1-23(2)21-36-29-7-5-4-6-27(29)20-32-15-12-31(13-16-32)14-17-33(22-31)30(34)26-9-8-25-19-28(35-3)11-10-24(25)18-26/h4-11,18-19,23H,12-17,20-22H2,1-3H3
• InChIKey: IOIHVFIOTCXTOD-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.66
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 69428040) is (6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone.

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

The canonical SMILES for (6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone is COc1ccc2cc(C(=O)N3CCC4(CCN(Cc5ccccc5OCC(C)C)CC4)C3)ccc2c1.

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

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

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

(6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 486.66 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 69428040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).