(4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone

C30H42N2O2 — CID 69429929

About (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone

(4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 69429929) has the molecular formula C30H42N2O2 and a molecular weight of 462.68 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

• Compound Name: (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
• PubChem CID: 69429929
• Molecular Formula: C30H42N2O2
• Molecular Weight: 462.68 g/mol
• Exact Mass: 462.32
• IUPAC Name: (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
• SMILES: CC(C)COc1ccccc1CN1CCC2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1
• InChI: InChI=1S/C30H42N2O2/c1-23(2)21-34-27-9-7-6-8-25(27)20-31-17-14-30(22-31)15-18-32(19-16-30)28(33)24-10-12-26(13-11-24)29(3,4)5/h6-13,23H,14-22H2,1-5H3
• InChIKey: JFGAPLCEYYKQNS-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.68
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The IUPAC name of (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 69429929) is (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone.

What is the SMILES notation for (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The canonical SMILES for (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone is CC(C)COc1ccccc1CN1CCC2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1.

What is the InChIKey of (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The InChIKey is JFGAPLCEYYKQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O2/c1-23(2)21-34-27-9-7-6-8-25(27)20-31-17-14-30(22-31)15-18-32(19-16-30)28(33)24-10-12-26(13-11-24)29(3,4)5/h6-13,23H,14-22H2,1-5H3.

What are the key properties of (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?

(4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 462.68 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 69429929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).