[4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate

C30H35F3N2O7 — CID 130449404

About [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate

[4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate (PubChem CID 130449404) has the molecular formula C30H35F3N2O7 and a molecular weight of 592.61 g/mol. Its IUPAC name is [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 130449404
• Molecular Formula: C30H35F3N2O7
• Molecular Weight: 592.61 g/mol
• Exact Mass: 592.24
• IUPAC Name: [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate
• SMILES: COCCOCCOCCOCCNC(=O)OCc1cc(-c2cc(-c3cccc(C(F)(F)F)c3)ccc2OC)ccn1
• InChI: InChI=1S/C30H35F3N2O7/c1-37-12-13-40-16-17-41-15-14-39-11-10-35-29(36)42-21-26-19-24(8-9-34-26)27-20-23(6-7-28(27)38-2)22-4-3-5-25(18-22)30(31,32)33/h3-9,18-20H,10-17,21H2,1-2H3,(H,35,36)
• InChIKey: AVKBFAKYGRGHJH-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 97.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.61
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate (CID 130449404) is [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate is COCCOCCOCCOCCNC(=O)OCc1cc(-c2cc(-c3cccc(C(F)(F)F)c3)ccc2OC)ccn1.

What is the InChIKey of [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is AVKBFAKYGRGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N2O7/c1-37-12-13-40-16-17-41-15-14-39-11-10-35-29(36)42-21-26-19-24(8-9-34-26)27-20-23(6-7-28(27)38-2)22-4-3-5-25(18-22)30(31,32)33/h3-9,18-20H,10-17,21H2,1-2H3,(H,35,36).

What are the key properties of [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate?

[4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 592.61 g/mol, XLogP of 5.37, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]methyl N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 130449404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).