3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide

C24H28N2O2 — CID 10231573

About 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide

3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide (PubChem CID 10231573) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide.

Molecular Properties

• Compound Name: 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
• PubChem CID: 10231573
• Molecular Formula: C24H28N2O2
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.22
• IUPAC Name: 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
• SMILES: CCC1(c2cccc(C(N)=O)c2)C2CN(CC3(O)Cc4ccccc4C3)CC21
• InChI: InChI=1S/C24H28N2O2/c1-2-24(19-9-5-8-16(10-19)22(25)27)20-13-26(14-21(20)24)15-23(28)11-17-6-3-4-7-18(17)12-23/h3-10,20-21,28H,2,11-15H2,1H3,(H2,25,27)
• InChIKey: SCNSHBHEDUUZDM-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 66.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.50
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?

The IUPAC name of 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide (CID 10231573) is 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide.

What is the SMILES notation for 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?

The canonical SMILES for 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide is CCC1(c2cccc(C(N)=O)c2)C2CN(CC3(O)Cc4ccccc4C3)CC21.

What is the InChIKey of 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?

The InChIKey is SCNSHBHEDUUZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-2-24(19-9-5-8-16(10-19)22(25)27)20-13-26(14-21(20)24)15-23(28)11-17-6-3-4-7-18(17)12-23/h3-10,20-21,28H,2,11-15H2,1H3,(H2,25,27).

What are the key properties of 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?

3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide is sourced from PubChem (CID 10231573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).