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

C27H34N2O4 — CID 68905575

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

2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 68905575) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
• PubChem CID: 68905575
• Molecular Formula: C27H34N2O4
• Molecular Weight: 450.58 g/mol
• Exact Mass: 450.25
• IUPAC Name: 2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
• SMILES: COc1ccc(CN2CC3C(C2)C3NC(=O)C(O)(c2ccccc2)C2CCCC2)cc1OC
• InChI: InChI=1S/C27H34N2O4/c1-32-23-13-12-18(14-24(23)33-2)15-29-16-21-22(17-29)25(21)28-26(30)27(31,20-10-6-7-11-20)19-8-4-3-5-9-19/h3-5,8-9,12-14,20-22,25,31H,6-7,10-11,15-17H2,1-2H3,(H,28,30)
• InChIKey: XDPOWRAZDWMDCV-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 71.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.58
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (CID 68905575) is 2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.

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

The canonical SMILES for 2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is COc1ccc(CN2CC3C(C2)C3NC(=O)C(O)(c2ccccc2)C2CCCC2)cc1OC.

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

The InChIKey is XDPOWRAZDWMDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-32-23-13-12-18(14-24(23)33-2)15-29-16-21-22(17-29)25(21)28-26(30)27(31,20-10-6-7-11-20)19-8-4-3-5-9-19/h3-5,8-9,12-14,20-22,25,31H,6-7,10-11,15-17H2,1-2H3,(H,28,30).

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

2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 450.58 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 68905575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).