ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate

C26H32FNO4 — CID 142687394

About ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate

ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate (PubChem CID 142687394) has the molecular formula C26H32FNO4 and a molecular weight of 441.54 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate.

Molecular Properties

• Compound Name: ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate
• PubChem CID: 142687394
• Molecular Formula: C26H32FNO4
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.23
• IUPAC Name: ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate
• SMILES: CCOC(=O)C(Cc1ccc(OCCN2CC=C(c3cccc(F)c3)CC2)cc1)OCC
• InChI: InChI=1S/C26H32FNO4/c1-3-30-25(26(29)31-4-2)18-20-8-10-24(11-9-20)32-17-16-28-14-12-21(13-15-28)22-6-5-7-23(27)19-22/h5-12,19,25H,3-4,13-18H2,1-2H3
• InChIKey: VYLFTHDAGPIKKP-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 48.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate?

The IUPAC name of ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate (CID 142687394) is ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate.

What is the SMILES notation for ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate?

The canonical SMILES for ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate is CCOC(=O)C(Cc1ccc(OCCN2CC=C(c3cccc(F)c3)CC2)cc1)OCC.

What is the InChIKey of ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate?

The InChIKey is VYLFTHDAGPIKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FNO4/c1-3-30-25(26(29)31-4-2)18-20-8-10-24(11-9-20)32-17-16-28-14-12-21(13-15-28)22-6-5-7-23(27)19-22/h5-12,19,25H,3-4,13-18H2,1-2H3.

What are the key properties of ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate?

ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate has a molecular weight of 441.54 g/mol, XLogP of 4.50, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate is sourced from PubChem (CID 142687394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).