2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide

C29H33F4N3O5 — CID 145145995

About 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide

2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide (PubChem CID 145145995) has the molecular formula C29H33F4N3O5 and a molecular weight of 579.59 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide.

Molecular Properties

• Compound Name: 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide
• PubChem CID: 145145995
• Molecular Formula: C29H33F4N3O5
• Molecular Weight: 579.59 g/mol
• Exact Mass: 579.24
• IUPAC Name: 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide
• SMILES: CC1(c2cc(-c3ccc(F)cc3)nc(C(O)(CNC=O)C(F)(F)F)c2)CCN1.COc1cc(C)ccc1OCCO
• InChI: InChI=1S/C19H19F4N3O2.C10H14O3/c1-17(6-7-25-17)13-8-15(12-2-4-14(20)5-3-12)26-16(9-13)18(28,10-24-11-27)19(21,22)23;1-8-3-4-9(13-6-5-11)10(7-8)12-2/h2-5,8-9,11,25,28H,6-7,10H2,1H3,(H,24,27);3-4,7,11H,5-6H2,1-2H3
• InChIKey: FQIWAZBMAWXMNT-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 112.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.59
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide?

The IUPAC name of 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide (CID 145145995) is 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide.

What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide?

The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide is CC1(c2cc(-c3ccc(F)cc3)nc(C(O)(CNC=O)C(F)(F)F)c2)CCN1.COc1cc(C)ccc1OCCO.

What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide?

The InChIKey is FQIWAZBMAWXMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O2.C10H14O3/c1-17(6-7-25-17)13-8-15(12-2-4-14(20)5-3-12)26-16(9-13)18(28,10-24-11-27)19(21,22)23;1-8-3-4-9(13-6-5-11)10(7-8)12-2/h2-5,8-9,11,25,28H,6-7,10H2,1H3,(H,24,27);3-4,7,11H,5-6H2,1-2H3.

What are the key properties of 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide?

2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide has a molecular weight of 579.59 g/mol, XLogP of 3.97, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxy-4-methylphenoxy)ethanol;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-2-hydroxypropyl]formamide is sourced from PubChem (CID 145145995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).