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

C27H34N2O2 — CID 69309714

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

(2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide (PubChem CID 69309714) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
• PubChem CID: 69309714
• Molecular Formula: C27H34N2O2
• Molecular Weight: 418.58 g/mol
• Exact Mass: 418.26
• IUPAC Name: (2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
• SMILES: Cc1cccc(CN2CC3C(CNC(=O)[C@@](O)(c4ccccc4)C4CCCC4)C3C2)c1
• InChI: InChI=1S/C27H34N2O2/c1-19-8-7-9-20(14-19)16-29-17-24-23(25(24)18-29)15-28-26(30)27(31,22-12-5-6-13-22)21-10-3-2-4-11-21/h2-4,7-11,14,22-25,31H,5-6,12-13,15-18H2,1H3,(H,28,30)/t23?,24?,25?,27-/m1/s1
• InChIKey: RCCJDLAAQMAQJK-ZPOQURRYSA-N
• XLogP: 3.87
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.58
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide (CID 69309714) is (2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide.

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

The canonical SMILES for (2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide is Cc1cccc(CN2CC3C(CNC(=O)[C@@](O)(c4ccccc4)C4CCCC4)C3C2)c1.

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

The InChIKey is RCCJDLAAQMAQJK-ZPOQURRYSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-19-8-7-9-20(14-19)16-29-17-24-23(25(24)18-29)15-28-26(30)27(31,22-12-5-6-13-22)21-10-3-2-4-11-21/h2-4,7-11,14,22-25,31H,5-6,12-13,15-18H2,1H3,(H,28,30)/t23?,24?,25?,27-/m1/s1.

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

(2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide has a molecular weight of 418.58 g/mol, XLogP of 3.87, 7 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-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 69309714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).