6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid

C158H159N9O21 — CID 158027504

About 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid

6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (PubChem CID 158027504) has the molecular formula C158H159N9O21 and a molecular weight of 2520.05 g/mol. Its IUPAC name is 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
• PubChem CID: 158027504
• Molecular Formula: C158H159N9O21
• Molecular Weight: 2520.05 g/mol
• Exact Mass: 2518.17
• IUPAC Name: 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
• SMILES: O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1.O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2cccnc2)cc1.O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccco2)cc1.O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccncc2)cc1.O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2cn[nH]c2)cc1
• InChI: InChI=1S/C33H33NO4.2C32H32N2O4.C31H31NO5.C30H31N3O4/c35-32(36)18-8-3-11-23-38-31-17-10-9-16-30(31)25-34(24-26-12-4-1-5-13-26)33(37)29-21-19-28(20-22-29)27-14-6-2-7-15-27;35-31(36)15-5-2-8-21-38-30-14-7-6-12-29(30)24-34(23-25-10-3-1-4-11-25)32(37)27-18-16-26(17-19-27)28-13-9-20-33-22-28;35-31(36)13-5-2-8-22-38-30-12-7-6-11-29(30)24-34(23-25-9-3-1-4-10-25)32(37)28-16-14-26(15-17-28)27-18-20-33-21-19-27;33-30(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;34-29(35)13-5-2-8-18-37-28-12-7-6-11-26(28)22-33(21-23-9-3-1-4-10-23)30(36)25-16-14-24(15-17-25)27-19-31-32-20-27/h1-2,4-7,9-10,12-17,19-22H,3,8,11,18,23-25H2,(H,35,36);1,3-4,6-7,9-14,16-20,22H,2,5,8,15,21,23-24H2,(H,35,36);1,3-4,6-7,9-12,14-21H,2,5,8,13,22-24H2,(H,35,36);1,3-4,6-7,9-14,16-19,21H,2,5,8,15,20,22-23H2,(H,33,34);1,3-4,6-7,9-12,14-17,19-20H,2,5,8,13,18,21-22H2,(H,31,32)(H,34,35)
• InChIKey: FGTVEZOSIOSIDR-UHFFFAOYSA-N
• XLogP: 33.21
• TPSA: 401.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 65
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2520.05
LogP ≤ 5	33.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (CID 158027504) is 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)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-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1.O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2cccnc2)cc1.O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccco2)cc1.O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccncc2)cc1.O=C(O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2cn[nH]c2)cc1.

What is the InChIKey of 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The InChIKey is FGTVEZOSIOSIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO4.2C32H32N2O4.C31H31NO5.C30H31N3O4/c35-32(36)18-8-3-11-23-38-31-17-10-9-16-30(31)25-34(24-26-12-4-1-5-13-26)33(37)29-21-19-28(20-22-29)27-14-6-2-7-15-27;35-31(36)15-5-2-8-21-38-30-14-7-6-12-29(30)24-34(23-25-10-3-1-4-11-25)32(37)27-18-16-26(17-19-27)28-13-9-20-33-22-28;35-31(36)13-5-2-8-22-38-30-12-7-6-11-29(30)24-34(23-25-9-3-1-4-10-25)32(37)28-16-14-26(15-17-28)27-18-20-33-21-19-27;33-30(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;34-29(35)13-5-2-8-18-37-28-12-7-6-11-26(28)22-33(21-23-9-3-1-4-10-23)30(36)25-16-14-24(15-17-25)27-19-31-32-20-27/h1-2,4-7,9-10,12-17,19-22H,3,8,11,18,23-25H2,(H,35,36);1,3-4,6-7,9-14,16-20,22H,2,5,8,15,21,23-24H2,(H,35,36);1,3-4,6-7,9-12,14-21H,2,5,8,13,22-24H2,(H,35,36);1,3-4,6-7,9-14,16-19,21H,2,5,8,15,20,22-23H2,(H,33,34);1,3-4,6-7,9-12,14-17,19-20H,2,5,8,13,18,21-22H2,(H,31,32)(H,34,35).

What are the key properties of 6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

6-[2-[[benzyl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid has a molecular weight of 2520.05 g/mol, XLogP of 33.21, 65 rotatable bonds, 6 hydrogen bond donors, and 19 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-[[benzyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[benzyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 158027504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).