2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide

C27H34N2O3 — CID 69028279

About 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide

2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide (PubChem CID 69028279) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
• PubChem CID: 69028279
• Molecular Formula: C27H34N2O3
• Molecular Weight: 434.58 g/mol
• Exact Mass: 434.26
• IUPAC Name: 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
• SMILES: O=C(NC1C2CN(CCc3ccc(CO)cc3)CC21)C(O)(c1ccccc1)C1CCCC1
• InChI: InChI=1S/C27H34N2O3/c30-18-20-12-10-19(11-13-20)14-15-29-16-23-24(17-29)25(23)28-26(31)27(32,22-8-4-5-9-22)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-25,30,32H,4-5,8-9,14-18H2,(H,28,31)
• InChIKey: VCBMJZWAVJAKNJ-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 72.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.58
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?

The IUPAC name of 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide (CID 69028279) is 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide.

What is the SMILES notation for 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?

The canonical SMILES for 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide is O=C(NC1C2CN(CCc3ccc(CO)cc3)CC21)C(O)(c1ccccc1)C1CCCC1.

What is the InChIKey of 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?

The InChIKey is VCBMJZWAVJAKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c30-18-20-12-10-19(11-13-20)14-15-29-16-23-24(17-29)25(23)28-26(31)27(32,22-8-4-5-9-22)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-25,30,32H,4-5,8-9,14-18H2,(H,28,31).

What are the key properties of 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?

2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide has a molecular weight of 434.58 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide is sourced from PubChem (CID 69028279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).