2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid

C137H147N7O28 — CID 159828106

About 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid

2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid (PubChem CID 159828106) has the molecular formula C137H147N7O28 and a molecular weight of 2339.70 g/mol. Its IUPAC name is 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid
• PubChem CID: 159828106
• Molecular Formula: C137H147N7O28
• Molecular Weight: 2339.70 g/mol
• Exact Mass: 2338.03
• IUPAC Name: 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid
• SMILES: CC(C)N(Cc1ccccc1OC1CCC(CC(=O)O)CC1)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCCOCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCc1cc(C(=O)O)no1)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCc1cc(CC(=O)O)no1)C(=O)c1ccc(-c2ccco2)cc1
• InChI: InChI=1S/C29H33NO5.C28H33NO5.2C27H26N2O6.C26H29NO6/c1-20(2)30(29(33)23-13-11-22(12-14-23)26-8-5-17-34-26)19-24-6-3-4-7-27(24)35-25-15-9-21(10-16-25)18-28(31)32;1-21(2)29(28(32)23-16-14-22(15-17-23)25-12-9-19-34-25)20-24-10-6-7-11-26(24)33-18-8-4-3-5-13-27(30)31;1-18(2)29(26(30)20-11-9-19(10-12-20)24-8-5-14-33-24)17-21-6-3-4-7-25(21)34-15-13-22-16-23(27(31)32)28-35-22;1-18(2)29(27(32)20-11-9-19(10-12-20)24-8-5-13-33-24)16-21-6-3-4-7-25(21)34-17-23-14-22(28-35-23)15-26(30)31;1-19(2)27(26(30)21-12-10-20(11-13-21)23-9-5-15-32-23)17-22-7-3-4-8-24(22)33-16-6-14-31-18-25(28)29/h3-8,11-14,17,20-21,25H,9-10,15-16,18-19H2,1-2H3,(H,31,32);6-7,9-12,14-17,19,21H,3-5,8,13,18,20H2,1-2H3,(H,30,31);3-12,14,16,18H,13,15,17H2,1-2H3,(H,31,32);3-14,18H,15-17H2,1-2H3,(H,30,31);3-5,7-13,15,19H,6,14,16-18H2,1-2H3,(H,28,29)
• InChIKey: NNCKRSFWYVMMMN-UHFFFAOYSA-N
• XLogP: 28.19
• TPSA: 461.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 54
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2339.70
LogP ≤ 5	28.19
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 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid?

The IUPAC name of 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid (CID 159828106) is 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid.

What is the SMILES notation for 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid?

The canonical SMILES for 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid is CC(C)N(Cc1ccccc1OC1CCC(CC(=O)O)CC1)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCCOCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCc1cc(C(=O)O)no1)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCc1cc(CC(=O)O)no1)C(=O)c1ccc(-c2ccco2)cc1.

What is the InChIKey of 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid?

The InChIKey is NNCKRSFWYVMMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO5.C28H33NO5.2C27H26N2O6.C26H29NO6/c1-20(2)30(29(33)23-13-11-22(12-14-23)26-8-5-17-34-26)19-24-6-3-4-7-27(24)35-25-15-9-21(10-16-25)18-28(31)32;1-21(2)29(28(32)23-16-14-22(15-17-23)25-12-9-19-34-25)20-24-10-6-7-11-26(24)33-18-8-4-3-5-13-27(30)31;1-18(2)29(26(30)20-11-9-19(10-12-20)24-8-5-14-33-24)17-21-6-3-4-7-25(21)34-15-13-22-16-23(27(31)32)28-35-22;1-18(2)29(27(32)20-11-9-19(10-12-20)24-8-5-13-33-24)16-21-6-3-4-7-25(21)34-17-23-14-22(28-35-23)15-26(30)31;1-19(2)27(26(30)21-12-10-20(11-13-21)23-9-5-15-32-23)17-22-7-3-4-8-24(22)33-16-6-14-31-18-25(28)29/h3-8,11-14,17,20-21,25H,9-10,15-16,18-19H2,1-2H3,(H,31,32);6-7,9-12,14-17,19,21H,3-5,8,13,18,20H2,1-2H3,(H,30,31);3-12,14,16,18H,13,15,17H2,1-2H3,(H,31,32);3-14,18H,15-17H2,1-2H3,(H,30,31);3-5,7-13,15,19H,6,14,16-18H2,1-2H3,(H,28,29).

What are the key properties of 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid?

2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid has a molecular weight of 2339.70 g/mol, XLogP of 28.19, 54 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;5-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;7-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]heptanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid is sourced from PubChem (CID 159828106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).