N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

C32H36N2O2 — CID 11179117

About N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (PubChem CID 11179117) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
• PubChem CID: 11179117
• Molecular Formula: C32H36N2O2
• Molecular Weight: 480.65 g/mol
• Exact Mass: 480.28
• IUPAC Name: N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
• SMILES: O=C(NCC1C2CN(C(c3ccccc3)c3ccccc3)CC12)C(O)(c1ccccc1)C1CCCC1
• InChI: InChI=1S/C32H36N2O2/c35-31(32(36,26-18-10-11-19-26)25-16-8-3-9-17-25)33-20-27-28-21-34(22-29(27)28)30(23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-9,12-17,26-30,36H,10-11,18-22H2,(H,33,35)
• InChIKey: BUXXGFQPJJHSGW-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.65
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?

The IUPAC name of N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (CID 11179117) is N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.

What is the SMILES notation for N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?

The canonical SMILES for N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is O=C(NCC1C2CN(C(c3ccccc3)c3ccccc3)CC12)C(O)(c1ccccc1)C1CCCC1.

What is the InChIKey of N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?

The InChIKey is BUXXGFQPJJHSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c35-31(32(36,26-18-10-11-19-26)25-16-8-3-9-17-25)33-20-27-28-21-34(22-29(27)28)30(23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-9,12-17,26-30,36H,10-11,18-22H2,(H,33,35).

What are the key properties of N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?

N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide has a molecular weight of 480.65 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 11179117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).