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

C119H136N8O16 — CID 158821454

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

6-[2-[[cyclopentyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (PubChem CID 158821454) has the molecular formula C119H136N8O16 and a molecular weight of 1934.44 g/mol. Its IUPAC name is 6-[2-[[cyclopentyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[cyclopentyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
• PubChem CID: 158821454
• Molecular Formula: C119H136N8O16
• Molecular Weight: 1934.44 g/mol
• Exact Mass: 1933.01
• IUPAC Name: 6-[2-[[cyclopentyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
• SMILES: O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccccc2)cc1)C1CCCC1.O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2cccnc2)cc1)C1CCCC1.O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccncc2)cc1)C1CCCC1.O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2cn[nH]c2)cc1)C1CCCC1
• InChI: InChI=1S/C31H35NO4.2C30H34N2O4.C28H33N3O4/c33-30(34)17-5-2-10-22-36-29-16-9-6-13-27(29)23-32(28-14-7-8-15-28)31(35)26-20-18-25(19-21-26)24-11-3-1-4-12-24;33-29(34)14-2-1-7-20-36-28-13-6-3-9-26(28)22-32(27-11-4-5-12-27)30(35)24-17-15-23(16-18-24)25-10-8-19-31-21-25;33-29(34)12-2-1-7-21-36-28-11-6-3-8-26(28)22-32(27-9-4-5-10-27)30(35)25-15-13-23(14-16-25)24-17-19-31-20-18-24;32-27(33)12-2-1-7-17-35-26-11-6-3-8-23(26)20-31(25-9-4-5-10-25)28(34)22-15-13-21(14-16-22)24-18-29-30-19-24/h1,3-4,6,9,11-13,16,18-21,28H,2,5,7-8,10,14-15,17,22-23H2,(H,33,34);3,6,8-10,13,15-19,21,27H,1-2,4-5,7,11-12,14,20,22H2,(H,33,34);3,6,8,11,13-20,27H,1-2,4-5,7,9-10,12,21-22H2,(H,33,34);3,6,8,11,13-16,18-19,25H,1-2,4-5,7,9-10,12,17,20H2,(H,29,30)(H,32,33)
• InChIKey: IVXQMTRMTJTLDB-UHFFFAOYSA-N
• XLogP: 25.36
• TPSA: 321.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 48
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1934.44
LogP ≤ 5	25.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[2-[[cyclopentyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (CID 158821454) is 6-[2-[[cyclopentyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[[cyclopentyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[cyclopentyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccccc2)cc1)C1CCCC1.O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2cccnc2)cc1)C1CCCC1.O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccncc2)cc1)C1CCCC1.O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2cn[nH]c2)cc1)C1CCCC1.

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

The InChIKey is IVXQMTRMTJTLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35NO4.2C30H34N2O4.C28H33N3O4/c33-30(34)17-5-2-10-22-36-29-16-9-6-13-27(29)23-32(28-14-7-8-15-28)31(35)26-20-18-25(19-21-26)24-11-3-1-4-12-24;33-29(34)14-2-1-7-20-36-28-13-6-3-9-26(28)22-32(27-11-4-5-12-27)30(35)24-17-15-23(16-18-24)25-10-8-19-31-21-25;33-29(34)12-2-1-7-21-36-28-11-6-3-8-26(28)22-32(27-9-4-5-10-27)30(35)25-15-13-23(14-16-25)24-17-19-31-20-18-24;32-27(33)12-2-1-7-17-35-26-11-6-3-8-23(26)20-31(25-9-4-5-10-25)28(34)22-15-13-21(14-16-22)24-18-29-30-19-24/h1,3-4,6,9,11-13,16,18-21,28H,2,5,7-8,10,14-15,17,22-23H2,(H,33,34);3,6,8-10,13,15-19,21,27H,1-2,4-5,7,11-12,14,20,22H2,(H,33,34);3,6,8,11,13-20,27H,1-2,4-5,7,9-10,12,21-22H2,(H,33,34);3,6,8,11,13-16,18-19,25H,1-2,4-5,7,9-10,12,17,20H2,(H,29,30)(H,32,33).

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

6-[2-[[cyclopentyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid has a molecular weight of 1934.44 g/mol, XLogP of 25.36, 48 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[cyclopentyl-(4-phenylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 158821454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).