ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate

C34H35F3N2O3 — CID 58622899

About ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate

ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate (PubChem CID 58622899) has the molecular formula C34H35F3N2O3 and a molecular weight of 576.66 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate.

Molecular Properties

• Compound Name: ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate
• PubChem CID: 58622899
• Molecular Formula: C34H35F3N2O3
• Molecular Weight: 576.66 g/mol
• Exact Mass: 576.26
• IUPAC Name: ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate
• SMILES: CCOC(=O)C(C)(C)Oc1ccc(CN(Cc2ccc(C)cc2)c2cccc(-c3ccc(C(F)(F)F)cc3)n2)cc1C
• InChI: InChI=1S/C34H35F3N2O3/c1-6-41-32(40)33(4,5)42-30-19-14-26(20-24(30)3)22-39(21-25-12-10-23(2)11-13-25)31-9-7-8-29(38-31)27-15-17-28(18-16-27)34(35,36)37/h7-20H,6,21-22H2,1-5H3
• InChIKey: NQZWWXAGSLWTNY-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.66
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate?

The IUPAC name of ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate (CID 58622899) is ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate.

What is the SMILES notation for ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate?

The canonical SMILES for ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate is CCOC(=O)C(C)(C)Oc1ccc(CN(Cc2ccc(C)cc2)c2cccc(-c3ccc(C(F)(F)F)cc3)n2)cc1C.

What is the InChIKey of ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate?

The InChIKey is NQZWWXAGSLWTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F3N2O3/c1-6-41-32(40)33(4,5)42-30-19-14-26(20-24(30)3)22-39(21-25-12-10-23(2)11-13-25)31-9-7-8-29(38-31)27-15-17-28(18-16-27)34(35,36)37/h7-20H,6,21-22H2,1-5H3.

What are the key properties of ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate?

ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate has a molecular weight of 576.66 g/mol, XLogP of 8.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate is sourced from PubChem (CID 58622899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).