6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid

C135H146N6O25 — CID 157170355

About 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid

6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid (PubChem CID 157170355) has the molecular formula C135H146N6O25 and a molecular weight of 2252.67 g/mol. Its IUPAC name is 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid
• PubChem CID: 157170355
• Molecular Formula: C135H146N6O25
• Molecular Weight: 2252.67 g/mol
• Exact Mass: 2251.03
• IUPAC Name: 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid
• SMILES: CC(C1CC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CON(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.Cn1c(-c2ccccc2OCCCCCC(=O)O)cnc1-c1ccc(-c2ccco2)cc1.O=C(O)CCCCCOc1ccccc1C1CCCN1C(=O)c1ccc(-c2ccco2)cc1.O=C(O)CCCCCOc1ccccc1CN(CC1CC1)C(=O)c1ccc(-c2ccco2)cc1
• InChI: InChI=1S/C29H33NO5.C28H31NO5.C27H29NO5.C26H26N2O4.C25H27NO6/c1-21(22-12-13-22)30(29(33)24-16-14-23(15-17-24)26-10-7-19-35-26)20-25-8-4-5-9-27(25)34-18-6-2-3-11-28(31)32;30-27(31)10-2-1-5-17-33-26-8-4-3-7-24(26)20-29(19-21-11-12-21)28(32)23-15-13-22(14-16-23)25-9-6-18-34-25;29-26(30)12-2-1-5-18-33-25-10-4-3-8-22(25)23-9-6-17-28(23)27(31)21-15-13-20(14-16-21)24-11-7-19-32-24;1-28-22(21-8-4-5-9-24(21)32-16-6-2-3-11-25(29)30)18-27-26(28)20-14-12-19(13-15-20)23-10-7-17-31-23;1-30-26(25(29)20-14-12-19(13-15-20)22-10-7-17-32-22)18-21-8-4-5-9-23(21)31-16-6-2-3-11-24(27)28/h4-5,7-10,14-17,19,21-22H,2-3,6,11-13,18,20H2,1H3,(H,31,32);3-4,6-9,13-16,18,21H,1-2,5,10-12,17,19-20H2,(H,30,31);3-4,7-8,10-11,13-16,19,23H,1-2,5-6,9,12,17-18H2,(H,29,30);4-5,7-10,12-15,17-18H,2-3,6,11,16H2,1H3,(H,29,30);4-5,7-10,12-15,17H,2-3,6,11,16,18H2,1H3,(H,27,28)
• InChIKey: ANJVSXNFCJFNHU-UHFFFAOYSA-N
• XLogP: 29.59
• TPSA: 406.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 58
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2252.67
LogP ≤ 5	29.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid (CID 157170355) is 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid is CC(C1CC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.CON(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1.Cn1c(-c2ccccc2OCCCCCC(=O)O)cnc1-c1ccc(-c2ccco2)cc1.O=C(O)CCCCCOc1ccccc1C1CCCN1C(=O)c1ccc(-c2ccco2)cc1.O=C(O)CCCCCOc1ccccc1CN(CC1CC1)C(=O)c1ccc(-c2ccco2)cc1.

What is the InChIKey of 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid?

The InChIKey is ANJVSXNFCJFNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO5.C28H31NO5.C27H29NO5.C26H26N2O4.C25H27NO6/c1-21(22-12-13-22)30(29(33)24-16-14-23(15-17-24)26-10-7-19-35-26)20-25-8-4-5-9-27(25)34-18-6-2-3-11-28(31)32;30-27(31)10-2-1-5-17-33-26-8-4-3-7-24(26)20-29(19-21-11-12-21)28(32)23-15-13-22(14-16-23)25-9-6-18-34-25;29-26(30)12-2-1-5-18-33-25-10-4-3-8-22(25)23-9-6-17-28(23)27(31)21-15-13-20(14-16-21)24-11-7-19-32-24;1-28-22(21-8-4-5-9-24(21)32-16-6-2-3-11-25(29)30)18-27-26(28)20-14-12-19(13-15-20)23-10-7-17-31-23;1-30-26(25(29)20-14-12-19(13-15-20)22-10-7-17-32-22)18-21-8-4-5-9-23(21)31-16-6-2-3-11-24(27)28/h4-5,7-10,14-17,19,21-22H,2-3,6,11-13,18,20H2,1H3,(H,31,32);3-4,6-9,13-16,18,21H,1-2,5,10-12,17,19-20H2,(H,30,31);3-4,7-8,10-11,13-16,19,23H,1-2,5-6,9,12,17-18H2,(H,29,30);4-5,7-10,12-15,17-18H,2-3,6,11,16H2,1H3,(H,29,30);4-5,7-10,12-15,17H,2-3,6,11,16,18H2,1H3,(H,27,28).

What are the key properties of 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid?

6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid has a molecular weight of 2252.67 g/mol, XLogP of 29.59, 58 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[1-cyclopropylethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropylmethyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-2-yl)benzoyl]-methoxyamino]methyl]phenoxy]hexanoic acid;6-[2-[1-[4-(furan-2-yl)benzoyl]pyrrolidin-2-yl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)phenyl]-3-methylimidazol-4-yl]phenoxy]hexanoic acid is sourced from PubChem (CID 157170355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).