6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid

C138H159N9O21 — CID 158369951

About 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid

6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (PubChem CID 158369951) has the molecular formula C138H159N9O21 and a molecular weight of 2279.83 g/mol. Its IUPAC name is 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
• PubChem CID: 158369951
• Molecular Formula: C138H159N9O21
• Molecular Weight: 2279.83 g/mol
• Exact Mass: 2278.17
• IUPAC Name: 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
• SMILES: CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2cccnc2)cc1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccncc2)cc1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2cn[nH]c2)cc1
• InChI: InChI=1S/C29H33NO4.2C28H32N2O4.C27H31NO5.C26H31N3O4/c1-22(2)30(29(33)25-18-16-24(17-19-25)23-11-5-3-6-12-23)21-26-13-8-9-14-27(26)34-20-10-4-7-15-28(31)32;1-21(2)30(28(33)23-15-13-22(14-16-23)24-10-8-17-29-19-24)20-25-9-5-6-11-26(25)34-18-7-3-4-12-27(31)32;1-21(2)30(28(33)24-13-11-22(12-14-24)23-15-17-29-18-16-23)20-25-8-5-6-9-26(25)34-19-7-3-4-10-27(31)32;1-20(2)28(27(31)22-15-13-21(14-16-22)24-11-8-18-33-24)19-23-9-5-6-10-25(23)32-17-7-3-4-12-26(29)30;1-19(2)29(26(32)21-13-11-20(12-14-21)23-16-27-28-17-23)18-22-8-5-6-9-24(22)33-15-7-3-4-10-25(30)31/h3,5-6,8-9,11-14,16-19,22H,4,7,10,15,20-21H2,1-2H3,(H,31,32);5-6,8-11,13-17,19,21H,3-4,7,12,18,20H2,1-2H3,(H,31,32);5-6,8-9,11-18,21H,3-4,7,10,19-20H2,1-2H3,(H,31,32);5-6,8-11,13-16,18,20H,3-4,7,12,17,19H2,1-2H3,(H,29,30);5-6,8-9,11-14,16-17,19H,3-4,7,10,15,18H2,1-2H3,(H,27,28)(H,30,31)
• InChIKey: GUMIKOCZOYVKTO-UHFFFAOYSA-N
• XLogP: 29.25
• TPSA: 401.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 60
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2279.83
LogP ≤ 5	29.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (CID 158369951) is 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccccc2)cc1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2cccnc2)cc1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccncc2)cc1.CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2cn[nH]c2)cc1.

What is the InChIKey of 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The InChIKey is GUMIKOCZOYVKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO4.2C28H32N2O4.C27H31NO5.C26H31N3O4/c1-22(2)30(29(33)25-18-16-24(17-19-25)23-11-5-3-6-12-23)21-26-13-8-9-14-27(26)34-20-10-4-7-15-28(31)32;1-21(2)30(28(33)23-15-13-22(14-16-23)24-10-8-17-29-19-24)20-25-9-5-6-11-26(25)34-18-7-3-4-12-27(31)32;1-21(2)30(28(33)24-13-11-22(12-14-24)23-15-17-29-18-16-23)20-25-8-5-6-9-26(25)34-19-7-3-4-10-27(31)32;1-20(2)28(27(31)22-15-13-21(14-16-22)24-11-8-18-33-24)19-23-9-5-6-10-25(23)32-17-7-3-4-12-26(29)30;1-19(2)29(26(32)21-13-11-20(12-14-21)23-16-27-28-17-23)18-22-8-5-6-9-24(22)33-15-7-3-4-10-25(30)31/h3,5-6,8-9,11-14,16-19,22H,4,7,10,15,20-21H2,1-2H3,(H,31,32);5-6,8-11,13-17,19,21H,3-4,7,12,18,20H2,1-2H3,(H,31,32);5-6,8-9,11-18,21H,3-4,7,10,19-20H2,1-2H3,(H,31,32);5-6,8-11,13-16,18,20H,3-4,7,12,17,19H2,1-2H3,(H,29,30);5-6,8-9,11-14,16-17,19H,3-4,7,10,15,18H2,1-2H3,(H,27,28)(H,30,31).

What are the key properties of 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid has a molecular weight of 2279.83 g/mol, XLogP of 29.25, 60 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[propan-2-yl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 158369951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).