6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid

C158H192F2N8O31 — CID 159097145

About 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid

6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid (PubChem CID 159097145) has the molecular formula C158H192F2N8O31 and a molecular weight of 2743.33 g/mol. Its IUPAC name is 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid
• PubChem CID: 159097145
• Molecular Formula: C158H192F2N8O31
• Molecular Weight: 2743.33 g/mol
• Exact Mass: 2741.40
• IUPAC Name: 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid
• SMILES: [2H]C(C(=O)N(c1ccc(-c2ccco2)cc1)C(C)C)c1ccccc1OCCCCCC(=O)O.[2H]C(c1ccccc1OCCCCCC(=O)O)N(C(=O)C1CCC(c2ccco2)CC1)C(C)C.[2H]C(c1ccccc1OCCCCCC(=O)O)N(C(=O)C1CCN(c2ccco2)CC1)C(C)C.[2H]C(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1cc(-c2ccco2)on1)C(C)C.[2H]C(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)c(F)c1)C(C)C.[2H]C(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1F)C(C)C
• InChI: InChI=1S/2C27H30FNO5.C27H37NO5.C27H31NO5.C26H36N2O5.C24H28N2O6/c1-19(2)29(27(32)22-14-13-20(17-23(22)28)24-11-8-16-34-24)18-21-9-5-6-10-25(21)33-15-7-3-4-12-26(30)31;1-19(2)29(27(32)20-13-14-22(23(28)17-20)25-11-8-16-34-25)18-21-9-5-6-10-24(21)33-15-7-3-4-12-26(30)31;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;1-20(2)28(23-15-13-21(14-16-23)24-11-8-18-33-24)26(29)19-22-9-5-6-10-25(22)32-17-7-3-4-12-27(30)31;1-20(2)28(26(31)21-13-15-27(16-14-21)24-11-8-18-33-24)19-22-9-5-6-10-23(22)32-17-7-3-4-12-25(29)30;1-17(2)26(24(29)19-15-22(32-25-19)21-11-8-14-31-21)16-18-9-5-6-10-20(18)30-13-7-3-4-12-23(27)28/h2*5-6,8-11,13-14,16-17,19H,3-4,7,12,15,18H2,1-2H3,(H,30,31);5-6,8-11,18,20-22H,3-4,7,12-17,19H2,1-2H3,(H,29,30);5-6,8-11,13-16,18,20H,3-4,7,12,17,19H2,1-2H3,(H,30,31);5-6,8-11,18,20-21H,3-4,7,12-17,19H2,1-2H3,(H,29,30);5-6,8-11,14-15,17H,3-4,7,12-13,16H2,1-2H3,(H,27,28)/i2*18D;3*19D;16D
• InChIKey: KCUSBIJJAWFQJV-RLVJMIHESA-N
• XLogP: 34.26
• TPSA: 509.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 72
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2743.33
LogP ≤ 5	34.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid (CID 159097145) is 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid is [2H]C(C(=O)N(c1ccc(-c2ccco2)cc1)C(C)C)c1ccccc1OCCCCCC(=O)O.[2H]C(c1ccccc1OCCCCCC(=O)O)N(C(=O)C1CCC(c2ccco2)CC1)C(C)C.[2H]C(c1ccccc1OCCCCCC(=O)O)N(C(=O)C1CCN(c2ccco2)CC1)C(C)C.[2H]C(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1cc(-c2ccco2)on1)C(C)C.[2H]C(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)c(F)c1)C(C)C.[2H]C(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1F)C(C)C.

What is the InChIKey of 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid?

The InChIKey is KCUSBIJJAWFQJV-RLVJMIHESA-N. The full InChI is InChI=1S/2C27H30FNO5.C27H37NO5.C27H31NO5.C26H36N2O5.C24H28N2O6/c1-19(2)29(27(32)22-14-13-20(17-23(22)28)24-11-8-16-34-24)18-21-9-5-6-10-25(21)33-15-7-3-4-12-26(30)31;1-19(2)29(27(32)20-13-14-22(23(28)17-20)25-11-8-16-34-25)18-21-9-5-6-10-24(21)33-15-7-3-4-12-26(30)31;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;1-20(2)28(23-15-13-21(14-16-23)24-11-8-18-33-24)26(29)19-22-9-5-6-10-25(22)32-17-7-3-4-12-27(30)31;1-20(2)28(26(31)21-13-15-27(16-14-21)24-11-8-18-33-24)19-22-9-5-6-10-23(22)32-17-7-3-4-12-25(29)30;1-17(2)26(24(29)19-15-22(32-25-19)21-11-8-14-31-21)16-18-9-5-6-10-20(18)30-13-7-3-4-12-23(27)28/h2*5-6,8-11,13-14,16-17,19H,3-4,7,12,15,18H2,1-2H3,(H,30,31);5-6,8-11,18,20-22H,3-4,7,12-17,19H2,1-2H3,(H,29,30);5-6,8-11,13-16,18,20H,3-4,7,12,17,19H2,1-2H3,(H,30,31);5-6,8-11,18,20-21H,3-4,7,12-17,19H2,1-2H3,(H,29,30);5-6,8-11,14-15,17H,3-4,7,12-13,16H2,1-2H3,(H,27,28)/i2*18D;3*19D;16D.

What are the key properties of 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid?

6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid has a molecular weight of 2743.33 g/mol, XLogP of 34.26, 72 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[deuterio-[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-2-yl)cyclohexanecarbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[1-deuterio-2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid is sourced from PubChem (CID 159097145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).