N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide

C32H36N2O3 — CID 11755574

About N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide

N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide (PubChem CID 11755574) has the molecular formula C32H36N2O3 and a molecular weight of 496.65 g/mol. Its IUPAC name is N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide
• PubChem CID: 11755574
• Molecular Formula: C32H36N2O3
• Molecular Weight: 496.65 g/mol
• Exact Mass: 496.27
• IUPAC Name: N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide
• SMILES: O=C(NC1C2CN(Cc3ccccc3)CC21)C(O)(c1ccc(Oc2ccccc2)cc1)C1CCCCC1
• InChI: InChI=1S/C32H36N2O3/c35-31(33-30-28-21-34(22-29(28)30)20-23-10-4-1-5-11-23)32(36,24-12-6-2-7-13-24)25-16-18-27(19-17-25)37-26-14-8-3-9-15-26/h1,3-5,8-11,14-19,24,28-30,36H,2,6-7,12-13,20-22H2,(H,33,35)
• InChIKey: CWTNLQREVPSPEK-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.65
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide?

The IUPAC name of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide (CID 11755574) is N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide.

What is the SMILES notation for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide?

The canonical SMILES for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide is O=C(NC1C2CN(Cc3ccccc3)CC21)C(O)(c1ccc(Oc2ccccc2)cc1)C1CCCCC1.

What is the InChIKey of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide?

The InChIKey is CWTNLQREVPSPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O3/c35-31(33-30-28-21-34(22-29(28)30)20-23-10-4-1-5-11-23)32(36,24-12-6-2-7-13-24)25-16-18-27(19-17-25)37-26-14-8-3-9-15-26/h1,3-5,8-11,14-19,24,28-30,36H,2,6-7,12-13,20-22H2,(H,33,35).

What are the key properties of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide?

N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide has a molecular weight of 496.65 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 11755574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).