(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide

C22H32N2O2 — CID 69309723

About (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide

(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide (PubChem CID 69309723) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide.

Molecular Properties

• Compound Name: (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide
• PubChem CID: 69309723
• Molecular Formula: C22H32N2O2
• Molecular Weight: 356.51 g/mol
• Exact Mass: 356.25
• IUPAC Name: (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide
• SMILES: CC(C)N1CC2C(CNC(=O)[C@@](O)(c3ccccc3)C3CCCC3)C2C1
• InChI: InChI=1S/C22H32N2O2/c1-15(2)24-13-19-18(20(19)14-24)12-23-21(25)22(26,17-10-6-7-11-17)16-8-4-3-5-9-16/h3-5,8-9,15,17-20,26H,6-7,10-14H2,1-2H3,(H,23,25)/t18?,19?,20?,22-/m1/s1
• InChIKey: XAQLZINZTWJFIJ-YMEUWNJXSA-N
• XLogP: 2.77
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.51
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide?

The IUPAC name of (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide (CID 69309723) is (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide.

What is the SMILES notation for (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide?

The canonical SMILES for (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide is CC(C)N1CC2C(CNC(=O)[C@@](O)(c3ccccc3)C3CCCC3)C2C1.

What is the InChIKey of (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide?

The InChIKey is XAQLZINZTWJFIJ-YMEUWNJXSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-15(2)24-13-19-18(20(19)14-24)12-23-21(25)22(26,17-10-6-7-11-17)16-8-4-3-5-9-16/h3-5,8-9,15,17-20,26H,6-7,10-14H2,1-2H3,(H,23,25)/t18?,19?,20?,22-/m1/s1.

What are the key properties of (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide?

(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide has a molecular weight of 356.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide is sourced from PubChem (CID 69309723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).