N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C30H34F3N3O3 — CID 69347131

About N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 69347131) has the molecular formula C30H34F3N3O3 and a molecular weight of 541.61 g/mol. Its IUPAC name is N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
• PubChem CID: 69347131
• Molecular Formula: C30H34F3N3O3
• Molecular Weight: 541.61 g/mol
• Exact Mass: 541.26
• IUPAC Name: N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
• SMILES: CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2O)cc1OCCC1CCCCN1
• InChI: InChI=1S/C30H34F3N3O3/c1-29(2,3)23-12-10-21(18-26(23)39-16-13-20-7-4-5-14-34-20)36-28(38)22-11-9-19(17-25(22)37)27-24(30(31,32)33)8-6-15-35-27/h6,8-12,15,17-18,20,34,37H,4-5,7,13-14,16H2,1-3H3,(H,36,38)
• InChIKey: JALYVKVUIFHVAD-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 83.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.61
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?

The IUPAC name of N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 69347131) is N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

What is the SMILES notation for N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?

The canonical SMILES for N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2O)cc1OCCC1CCCCN1.

What is the InChIKey of N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?

The InChIKey is JALYVKVUIFHVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N3O3/c1-29(2,3)23-12-10-21(18-26(23)39-16-13-20-7-4-5-14-34-20)36-28(38)22-11-9-19(17-25(22)37)27-24(30(31,32)33)8-6-15-35-27/h6,8-12,15,17-18,20,34,37H,4-5,7,13-14,16H2,1-3H3,(H,36,38).

What are the key properties of N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?

N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 541.61 g/mol, XLogP of 6.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 69347131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).