(3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone

C23H33NO2 — CID 164710264

About (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 164710264) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 164710264
• Molecular Formula: C23H33NO2
• Molecular Weight: 355.52 g/mol
• Exact Mass: 355.25
• IUPAC Name: (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: CC(C)c1ccc(CC2CCC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1
• InChI: InChI=1S/C23H33NO2/c1-16(2)19-6-4-17(5-7-19)10-18-8-9-23(11-18)14-24(15-23)21(25)20-12-22(3,26)13-20/h4-7,16,18,20,26H,8-15H2,1-3H3
• InChIKey: NSBWNTXNTHVBBE-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.52
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone (CID 164710264) is (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone.

What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone?

The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone is CC(C)c1ccc(CC2CCC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1.

What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone?

The InChIKey is NSBWNTXNTHVBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-16(2)19-6-4-17(5-7-19)10-18-8-9-23(11-18)14-24(15-23)21(25)20-12-22(3,26)13-20/h4-7,16,18,20,26H,8-15H2,1-3H3.

What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone?

(3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 355.52 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 164710264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).