N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C34H43F3N2O6 — CID 25120435

About N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 25120435) has the molecular formula C34H43F3N2O6 and a molecular weight of 632.72 g/mol. Its IUPAC name is N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

• Compound Name: N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
• PubChem CID: 25120435
• Molecular Formula: C34H43F3N2O6
• Molecular Weight: 632.72 g/mol
• Exact Mass: 632.31
• IUPAC Name: N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
• SMILES: CCOCCOCCOCCOc1cccc(C(Cc2ccccc2)C(C)NC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cn2)c1
• InChI: InChI=1S/C34H43F3N2O6/c1-5-41-16-17-42-18-19-43-20-21-44-29-13-9-12-27(23-29)30(22-26-10-7-6-8-11-26)25(2)39-32(40)33(3,4)45-31-15-14-28(24-38-31)34(35,36)37/h6-15,23-25,30H,5,16-22H2,1-4H3,(H,39,40)
• InChIKey: BIFHYZMBKNMISU-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 88.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.72
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The IUPAC name of N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 25120435) is N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

What is the SMILES notation for N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The canonical SMILES for N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CCOCCOCCOCCOc1cccc(C(Cc2ccccc2)C(C)NC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cn2)c1.

What is the InChIKey of N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The InChIKey is BIFHYZMBKNMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43F3N2O6/c1-5-41-16-17-42-18-19-43-20-21-44-29-13-9-12-27(23-29)30(22-26-10-7-6-8-11-26)25(2)39-32(40)33(3,4)45-31-15-14-28(24-38-31)34(35,36)37/h6-15,23-25,30H,5,16-22H2,1-4H3,(H,39,40).

What are the key properties of N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 632.72 g/mol, XLogP of 6.24, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 25120435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).