6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid

C154H173F3N8O29 — CID 159845169

About 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid

6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid (PubChem CID 159845169) has the molecular formula C154H173F3N8O29 and a molecular weight of 2657.10 g/mol. Its IUPAC name is 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid
• PubChem CID: 159845169
• Molecular Formula: C154H173F3N8O29
• Molecular Weight: 2657.10 g/mol
• Exact Mass: 2655.23
• IUPAC Name: 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid
• SMILES: CC(C)N(CN1CCOCC1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cn1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(C#CC(F)(F)F)cc1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(C#CC2CC2)cc1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(OC2CC2)cc1.O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccco2)cc1
• InChI: InChI=1S/C31H31NO5.C26H29NO4.C25H34N2O6.C24H24F3NO4.C24H26N2O5.C24H29NO5/c33-30(34)15-5-2-8-20-36-29-13-7-6-12-27(29)23-32(22-24-10-3-1-4-11-24)31(35)26-18-16-25(17-19-26)28-14-9-21-37-28;1-27(26(30)22-16-14-21(15-17-22)13-12-20-10-11-20)19-23-7-4-5-8-24(23)31-18-6-2-3-9-25(28)29;1-19(2)27(25(30)21-11-9-20(10-12-21)22-7-6-15-32-22)18-26-13-16-31-17-23(26)33-14-5-3-4-8-24(28)29;1-28(23(31)19-12-10-18(11-13-19)14-15-24(25,26)27)17-20-7-4-5-8-21(20)32-16-6-2-3-9-22(29)30;1-26(24(29)20-13-12-18(16-25-20)21-10-7-15-31-21)17-19-8-4-5-9-22(19)30-14-6-2-3-11-23(27)28;1-25(24(28)18-10-12-20(13-11-18)30-21-14-15-21)17-19-7-4-5-8-22(19)29-16-6-2-3-9-23(26)27/h1,3-4,6-7,9-14,16-19,21H,2,5,8,15,20,22-23H2,(H,33,34);4-5,7-8,14-17,20H,2-3,6,9-11,18-19H2,1H3,(H,28,29);6-7,9-12,15,19,23H,3-5,8,13-14,16-18H2,1-2H3,(H,28,29);4-5,7-8,10-13H,2-3,6,9,16-17H2,1H3,(H,29,30);4-5,7-10,12-13,15-16H,2-3,6,11,14,17H2,1H3,(H,27,28);4-5,7-8,10-13,21H,2-3,6,9,14-17H2,1H3,(H,26,27)
• InChIKey: NPEXQEVGIWEBHW-UHFFFAOYSA-N
• XLogP: 29.69
• TPSA: 475.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 68
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2657.10
LogP ≤ 5	29.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid (CID 159845169) is 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid is CC(C)N(CN1CCOCC1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cn1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(C#CC(F)(F)F)cc1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(C#CC2CC2)cc1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(OC2CC2)cc1.O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccco2)cc1.

What is the InChIKey of 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid?

The InChIKey is NPEXQEVGIWEBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO5.C26H29NO4.C25H34N2O6.C24H24F3NO4.C24H26N2O5.C24H29NO5/c33-30(34)15-5-2-8-20-36-29-13-7-6-12-27(29)23-32(22-24-10-3-1-4-11-24)31(35)26-18-16-25(17-19-26)28-14-9-21-37-28;1-27(26(30)22-16-14-21(15-17-22)13-12-20-10-11-20)19-23-7-4-5-8-24(23)31-18-6-2-3-9-25(28)29;1-19(2)27(25(30)21-11-9-20(10-12-21)22-7-6-15-32-22)18-26-13-16-31-17-23(26)33-14-5-3-4-8-24(28)29;1-28(23(31)19-12-10-18(11-13-19)14-15-24(25,26)27)17-20-7-4-5-8-21(20)32-16-6-2-3-9-22(29)30;1-26(24(29)20-13-12-18(16-25-20)21-10-7-15-31-21)17-19-8-4-5-9-22(19)30-14-6-2-3-11-23(27)28;1-25(24(28)18-10-12-20(13-11-18)30-21-14-15-21)17-19-7-4-5-8-22(19)29-16-6-2-3-9-23(26)27/h1,3-4,6-7,9-14,16-19,21H,2,5,8,15,20,22-23H2,(H,33,34);4-5,7-8,14-17,20H,2-3,6,9-11,18-19H2,1H3,(H,28,29);6-7,9-12,15,19,23H,3-5,8,13-14,16-18H2,1-2H3,(H,28,29);4-5,7-8,10-13H,2-3,6,9,16-17H2,1H3,(H,29,30);4-5,7-10,12-13,15-16H,2-3,6,11,14,17H2,1H3,(H,27,28);4-5,7-8,10-13,21H,2-3,6,9,14-17H2,1H3,(H,26,27).

What are the key properties of 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid?

6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid has a molecular weight of 2657.10 g/mol, XLogP of 29.69, 68 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;6-[4-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]morpholin-3-yl]oxyhexanoic acid;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[methyl-[4-(3,3,3-trifluoroprop-1-ynyl)benzoyl]amino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 159845169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).