6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid

C118H129N11O24S — CID 158321251

About 6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid

6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid (PubChem CID 158321251) has the molecular formula C118H129N11O24S and a molecular weight of 2117.45 g/mol. Its IUPAC name is 6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid
• PubChem CID: 158321251
• Molecular Formula: C118H129N11O24S
• Molecular Weight: 2117.45 g/mol
• Exact Mass: 2115.89
• IUPAC Name: 6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid
• SMILES: CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cn1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(OC2CC2)cc1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ncc(-c2ccco2)s1.CN(Cc1ccccc1OCCCCc1nn[nH]n1)C(=O)c1ccc(-c2ccco2)cc1.CN(Cc1ccccc1OCCOCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1
• InChI: InChI=1S/C24H25N5O3.C24H26N2O5.C24H25NO6.C24H29NO5.C22H24N2O5S/c1-29(24(30)19-13-11-18(12-14-19)21-9-6-16-32-21)17-20-7-2-3-8-22(20)31-15-5-4-10-23-25-27-28-26-23;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)19-10-8-18(9-11-19)21-7-4-13-30-21)17-20-5-2-3-6-22(20)31-16-15-29-14-12-23(26)27;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;1-24(22(27)21-23-14-19(30-21)18-10-7-13-29-18)15-16-8-4-5-9-17(16)28-12-6-2-3-11-20(25)26/h2-3,6-9,11-14,16H,4-5,10,15,17H2,1H3,(H,25,26,27,28);4-5,7-10,12-13,15-16H,2-3,6,11,14,17H2,1H3,(H,27,28);2-11,13H,12,14-17H2,1H3,(H,26,27);4-5,7-8,10-13,21H,2-3,6,9,14-17H2,1H3,(H,26,27);4-5,7-10,13-14H,2-3,6,11-12,15H2,1H3,(H,25,26)
• InChIKey: GOWLOKQUYDNSIC-UHFFFAOYSA-N
• XLogP: 22.08
• TPSA: 448.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 55
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2117.45
LogP ≤ 5	22.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

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-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid (CID 158321251) is 6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid is CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cn1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(OC2CC2)cc1.CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ncc(-c2ccco2)s1.CN(Cc1ccccc1OCCCCc1nn[nH]n1)C(=O)c1ccc(-c2ccco2)cc1.CN(Cc1ccccc1OCCOCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.

What is the InChIKey of 6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid?

The InChIKey is GOWLOKQUYDNSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3.C24H26N2O5.C24H25NO6.C24H29NO5.C22H24N2O5S/c1-29(24(30)19-13-11-18(12-14-19)21-9-6-16-32-21)17-20-7-2-3-8-22(20)31-15-5-4-10-23-25-27-28-26-23;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)19-10-8-18(9-11-19)21-7-4-13-30-21)17-20-5-2-3-6-22(20)31-16-15-29-14-12-23(26)27;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;1-24(22(27)21-23-14-19(30-21)18-10-7-13-29-18)15-16-8-4-5-9-17(16)28-12-6-2-3-11-20(25)26/h2-3,6-9,11-14,16H,4-5,10,15,17H2,1H3,(H,25,26,27,28);4-5,7-10,12-13,15-16H,2-3,6,11,14,17H2,1H3,(H,27,28);2-11,13H,12,14-17H2,1H3,(H,26,27);4-5,7-8,10-13,21H,2-3,6,9,14-17H2,1H3,(H,26,27);4-5,7-10,13-14H,2-3,6,11-12,15H2,1H3,(H,25,26).

What are the key properties of 6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid?

6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid has a molecular weight of 2117.45 g/mol, XLogP of 22.08, 55 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[(4-cyclopropyloxybenzoyl)-methylamino]methyl]phenoxy]hexanoic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]ethoxy]propanoic acid;4-(furan-2-yl)-N-methyl-N-[[2-[4-(2H-tetrazol-5-yl)butoxy]phenyl]methyl]benzamide;6-[2-[[[5-(furan-2-yl)pyridine-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-methylamino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 158321251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).