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

C32H37NO5 — CID 142687402

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

ethyl 2-ethoxy-3-[4-[2-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate (PubChem CID 142687402) has the molecular formula C32H37NO5 and a molecular weight of 515.65 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-[4-[2-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate.

Molecular Properties

• Compound Name: ethyl 2-ethoxy-3-[4-[2-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate
• PubChem CID: 142687402
• Molecular Formula: C32H37NO5
• Molecular Weight: 515.65 g/mol
• Exact Mass: 515.27
• IUPAC Name: ethyl 2-ethoxy-3-[4-[2-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate
• SMILES: CCOC(=O)C(Cc1ccc(OCCN2CC=C(c3ccc(Oc4ccccc4)cc3)CC2)cc1)OCC
• InChI: InChI=1S/C32H37NO5/c1-3-35-31(32(34)36-4-2)24-25-10-14-28(15-11-25)37-23-22-33-20-18-27(19-21-33)26-12-16-30(17-13-26)38-29-8-6-5-7-9-29/h5-18,31H,3-4,19-24H2,1-2H3
• InChIKey: UVZOITQDUFQBAB-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 57.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.65
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl 2-ethoxy-3-[4-[2-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate (CID 142687402) is ethyl 2-ethoxy-3-[4-[2-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate.

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

The canonical SMILES for ethyl 2-ethoxy-3-[4-[2-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate is CCOC(=O)C(Cc1ccc(OCCN2CC=C(c3ccc(Oc4ccccc4)cc3)CC2)cc1)OCC.

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

The InChIKey is UVZOITQDUFQBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO5/c1-3-35-31(32(34)36-4-2)24-25-10-14-28(15-11-25)37-23-22-33-20-18-27(19-21-33)26-12-16-30(17-13-26)38-29-8-6-5-7-9-29/h5-18,31H,3-4,19-24H2,1-2H3.

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

ethyl 2-ethoxy-3-[4-[2-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate has a molecular weight of 515.65 g/mol, XLogP of 6.16, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-ethoxy-3-[4-[2-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate is sourced from PubChem (CID 142687402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).