N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide

C32H32N4O3 — CID 69349202

About N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide

N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide (PubChem CID 69349202) has the molecular formula C32H32N4O3 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide
• PubChem CID: 69349202
• Molecular Formula: C32H32N4O3
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.25
• IUPAC Name: N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1cccc(O)c1C2C1CC2CCC(C1)N2Cc1ncc[nH]1
• InChI: InChI=1S/C32H32N4O3/c1-19(37)35-26-6-3-2-5-24(26)20-9-12-25-29(17-20)39-28-8-4-7-27(38)32(28)31(25)21-15-22-10-11-23(16-21)36(22)18-30-33-13-14-34-30/h2-9,12-14,17,21-23,31,38H,10-11,15-16,18H2,1H3,(H,33,34)(H,35,37)
• InChIKey: ISFHBEJWOHNUBU-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 90.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide?

The IUPAC name of N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide (CID 69349202) is N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide.

What is the SMILES notation for N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide?

The canonical SMILES for N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1cccc(O)c1C2C1CC2CCC(C1)N2Cc1ncc[nH]1.

What is the InChIKey of N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide?

The InChIKey is ISFHBEJWOHNUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O3/c1-19(37)35-26-6-3-2-5-24(26)20-9-12-25-29(17-20)39-28-8-4-7-27(38)32(28)31(25)21-15-22-10-11-23(16-21)36(22)18-30-33-13-14-34-30/h2-9,12-14,17,21-23,31,38H,10-11,15-16,18H2,1H3,(H,33,34)(H,35,37).

What are the key properties of N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide?

N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide has a molecular weight of 520.63 g/mol, XLogP of 6.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide is sourced from PubChem (CID 69349202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).