6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid

C155H160N10O25 — CID 160988338

About 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid

6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid (PubChem CID 160988338) has the molecular formula C155H160N10O25 and a molecular weight of 2571.08 g/mol. Its IUPAC name is 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid
• PubChem CID: 160988338
• Molecular Formula: C155H160N10O25
• Molecular Weight: 2571.08 g/mol
• Exact Mass: 2569.21
• IUPAC Name: 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid
• SMILES: [2H]C(Cc1ccccn1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.[2H]C(Cc1ccccn1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccoc2)cc1.[2H]C([2H])(Cc1ccccn1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.[2H]C([2H])(Cc1ccccn1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccoc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(CCc1ccccn1)C(=O)c1ccc(-c2ccoc2)cc1
• InChI: InChI=1S/5C31H32N2O5/c2*34-30(35)13-2-1-7-21-37-29-11-4-3-9-26(29)23-33(20-18-27-10-5-6-19-32-27)31(36)25-16-14-24(15-17-25)28-12-8-22-38-28;3*34-30(35)11-2-1-7-20-38-29-10-4-3-8-26(29)22-33(19-16-28-9-5-6-18-32-28)31(36)25-14-12-24(13-15-25)27-17-21-37-23-27/h2*3-6,8-12,14-17,19,22H,1-2,7,13,18,20-21,23H2,(H,34,35);3*3-6,8-10,12-15,17-18,21,23H,1-2,7,11,16,19-20,22H2,(H,34,35)/i20D2;20D;22D2;19D2;19D
• InChIKey: TUGZJQZQXJQMHG-DONDRCENSA-N
• XLogP: 31.25
• TPSA: 464.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 70
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2571.08
LogP ≤ 5	31.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid (CID 160988338) is 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid is [2H]C(Cc1ccccn1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.[2H]C(Cc1ccccn1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccoc2)cc1.[2H]C([2H])(Cc1ccccn1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.[2H]C([2H])(Cc1ccccn1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccoc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(CCc1ccccn1)C(=O)c1ccc(-c2ccoc2)cc1.

What is the InChIKey of 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid?

The InChIKey is TUGZJQZQXJQMHG-DONDRCENSA-N. The full InChI is InChI=1S/5C31H32N2O5/c2*34-30(35)13-2-1-7-21-37-29-11-4-3-9-26(29)23-33(20-18-27-10-5-6-19-32-27)31(36)25-16-14-24(15-17-25)28-12-8-22-38-28;3*34-30(35)11-2-1-7-20-38-29-10-4-3-8-26(29)22-33(19-16-28-9-5-6-18-32-28)31(36)25-14-12-24(13-15-25)27-17-21-37-23-27/h2*3-6,8-12,14-17,19,22H,1-2,7,13,18,20-21,23H2,(H,34,35);3*3-6,8-10,12-15,17-18,21,23H,1-2,7,11,16,19-20,22H2,(H,34,35)/i20D2;20D;22D2;19D2;19D.

What are the key properties of 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid?

6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid has a molecular weight of 2571.08 g/mol, XLogP of 31.25, 70 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-[4-(furan-3-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 160988338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).