2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide

C31H37N3O4 — CID 11156572

About 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide

2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide (PubChem CID 11156572) has the molecular formula C31H37N3O4 and a molecular weight of 515.65 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide
• PubChem CID: 11156572
• Molecular Formula: C31H37N3O4
• Molecular Weight: 515.65 g/mol
• Exact Mass: 515.28
• IUPAC Name: 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide
• SMILES: O=C1c2ccccc2C(=O)N1CCCCN1CC2C(CNC(=O)C(O)(c3ccccc3)C3CCCC3)C2C1
• InChI: InChI=1S/C31H37N3O4/c35-28-23-14-6-7-15-24(23)29(36)34(28)17-9-8-16-33-19-26-25(27(26)20-33)18-32-30(37)31(38,22-12-4-5-13-22)21-10-2-1-3-11-21/h1-3,6-7,10-11,14-15,22,25-27,38H,4-5,8-9,12-13,16-20H2,(H,32,37)
• InChIKey: KXABMHLCZSKNCW-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 89.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.65
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide?

The IUPAC name of 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide (CID 11156572) is 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide.

What is the SMILES notation for 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide?

The canonical SMILES for 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide is O=C1c2ccccc2C(=O)N1CCCCN1CC2C(CNC(=O)C(O)(c3ccccc3)C3CCCC3)C2C1.

What is the InChIKey of 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide?

The InChIKey is KXABMHLCZSKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O4/c35-28-23-14-6-7-15-24(23)29(36)34(28)17-9-8-16-33-19-26-25(27(26)20-33)18-32-30(37)31(38,22-12-4-5-13-22)21-10-2-1-3-11-21/h1-3,6-7,10-11,14-15,22,25-27,38H,4-5,8-9,12-13,16-20H2,(H,32,37).

What are the key properties of 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide?

2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 515.65 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 11156572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).