6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide

C165H183F3N12O30 — CID 157090742

About 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide

6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide (PubChem CID 157090742) has the molecular formula C165H183F3N12O30 and a molecular weight of 2871.33 g/mol. Its IUPAC name is 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide.

Molecular Properties

• Compound Name: 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide
• PubChem CID: 157090742
• Molecular Formula: C165H183F3N12O30
• Molecular Weight: 2871.33 g/mol
• Exact Mass: 2869.31
• IUPAC Name: 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide
• SMILES: CC(C)N(Cc1cc(C(F)(F)F)ccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1cc(N2CCC2)ccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCCCc1nn[nH]n1)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
• InChI: InChI=1S/C30H36N2O5.C28H30F3NO5.C28H33NO5.C27H26N2O6.C26H29N5O3.C26H29NO6/c1-22(2)32(30(35)24-12-10-23(11-13-24)27-8-6-19-37-27)21-25-20-26(31-16-7-17-31)14-15-28(25)36-18-5-3-4-9-29(33)34;1-19(2)32(27(35)21-11-9-20(10-12-21)24-7-6-16-37-24)18-22-17-23(28(29,30)31)13-14-25(22)36-15-5-3-4-8-26(33)34;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;1-19(2)31(26(32)21-14-12-20(13-15-21)23-10-7-17-34-23)18-22-8-3-4-9-24(22)33-16-6-5-11-25-27-29-30-28-25;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/h6,8,10-15,19-20,22H,3-5,7,9,16-18,21H2,1-2H3,(H,33,34);6-7,9-14,16-17,19H,3-5,8,15,18H2,1-2H3,(H,33,34);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);3-4,7-10,12-15,17,19H,5-6,11,16,18H2,1-2H3,(H,27,28,29,30);3-5,7-13,15,19H,6,14,16-18H2,1-2H3,(H,28,29)
• InChIKey: AEQCEZFNJHJZQL-UHFFFAOYSA-N
• XLogP: 34.77
• TPSA: 535.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 71
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2871.33
LogP ≤ 5	34.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide?

The IUPAC name of 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide (CID 157090742) is 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide.

What is the SMILES notation for 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide?

The canonical SMILES for 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide is CC(C)N(Cc1cc(C(F)(F)F)ccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1cc(N2CCC2)ccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CC(C)N(Cc1ccccc1OCCCCc1nn[nH]n1)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.

What is the InChIKey of 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide?

The InChIKey is AEQCEZFNJHJZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O5.C28H30F3NO5.C28H33NO5.C27H26N2O6.C26H29N5O3.C26H29NO6/c1-22(2)32(30(35)24-12-10-23(11-13-24)27-8-6-19-37-27)21-25-20-26(31-16-7-17-31)14-15-28(25)36-18-5-3-4-9-29(33)34;1-19(2)32(27(35)21-11-9-20(10-12-21)24-7-6-16-37-24)18-22-17-23(28(29,30)31)13-14-25(22)36-15-5-3-4-8-26(33)34;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;1-19(2)31(26(32)21-14-12-20(13-15-21)23-10-7-17-34-23)18-22-8-3-4-9-24(22)33-16-6-5-11-25-27-29-30-28-25;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/h6,8,10-15,19-20,22H,3-5,7,9,16-18,21H2,1-2H3,(H,33,34);6-7,9-14,16-17,19H,3-5,8,15,18H2,1-2H3,(H,33,34);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);3-4,7-10,12-15,17,19H,5-6,11,16,18H2,1-2H3,(H,27,28,29,30);3-5,7-13,15,19H,6,14,16-18H2,1-2H3,(H,28,29).

What are the key properties of 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide?

6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide has a molecular weight of 2871.33 g/mol, XLogP of 34.77, 71 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(azetidin-1-yl)-2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic 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-[3-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]propoxy]acetic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-(trifluoromethyl)phenoxy]hexanoic acid;4-(furan-2-yl)-N-propan-2-yl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 157090742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).