6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid

C126H132N4O16 — CID 158370208

About 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid

6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (PubChem CID 158370208) has the molecular formula C126H132N4O16 and a molecular weight of 1958.45 g/mol. Its IUPAC name is 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
• PubChem CID: 158370208
• Molecular Formula: C126H132N4O16
• Molecular Weight: 1958.45 g/mol
• Exact Mass: 1956.96
• IUPAC Name: 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
• SMILES: Cc1cccc(-c2ccc(C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C3CC3)cc2)c1.Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2OCCCCCC(=O)O)C2CC2)cc1.O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccc3ccccc3c2)cc1)C1CC1.O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2cccc3ccccc23)cc1)C1CC1
• InChI: InChI=1S/2C33H33NO4.2C30H33NO4/c35-32(36)15-2-1-7-22-38-31-14-6-4-10-27(31)23-34(28-20-21-28)33(37)26-18-16-25(17-19-26)30-13-8-11-24-9-3-5-12-29(24)30;35-32(36)12-2-1-7-21-38-31-11-6-5-10-29(31)23-34(30-19-20-30)33(37)26-16-13-25(14-17-26)28-18-15-24-8-3-4-9-27(24)22-28;1-22-9-4-6-11-27(22)23-14-16-24(17-15-23)30(34)31(26-18-19-26)21-25-10-5-7-12-28(25)35-20-8-2-3-13-29(32)33;1-22-8-7-10-25(20-22)23-13-15-24(16-14-23)30(34)31(27-17-18-27)21-26-9-4-5-11-28(26)35-19-6-2-3-12-29(32)33/h3-6,8-14,16-19,28H,1-2,7,15,20-23H2,(H,35,36);3-6,8-11,13-18,22,30H,1-2,7,12,19-21,23H2,(H,35,36);4-7,9-12,14-17,26H,2-3,8,13,18-21H2,1H3,(H,32,33);4-5,7-11,13-16,20,27H,2-3,6,12,17-19,21H2,1H3,(H,32,33)
• InChIKey: GUNDOFISICLALL-UHFFFAOYSA-N
• XLogP: 27.65
• TPSA: 267.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 48
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1958.45
LogP ≤ 5	27.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (CID 158370208) is 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is Cc1cccc(-c2ccc(C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C3CC3)cc2)c1.Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2OCCCCCC(=O)O)C2CC2)cc1.O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccc3ccccc3c2)cc1)C1CC1.O=C(O)CCCCCOc1ccccc1CN(C(=O)c1ccc(-c2cccc3ccccc23)cc1)C1CC1.

What is the InChIKey of 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The InChIKey is GUNDOFISICLALL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H33NO4.2C30H33NO4/c35-32(36)15-2-1-7-22-38-31-14-6-4-10-27(31)23-34(28-20-21-28)33(37)26-18-16-25(17-19-26)30-13-8-11-24-9-3-5-12-29(24)30;35-32(36)12-2-1-7-21-38-31-11-6-5-10-29(31)23-34(30-19-20-30)33(37)26-16-13-25(14-17-26)28-18-15-24-8-3-4-9-27(24)22-28;1-22-9-4-6-11-27(22)23-14-16-24(17-15-23)30(34)31(26-18-19-26)21-25-10-5-7-12-28(25)35-20-8-2-3-13-29(32)33;1-22-8-7-10-25(20-22)23-13-15-24(16-14-23)30(34)31(27-17-18-27)21-26-9-4-5-11-28(26)35-19-6-2-3-12-29(32)33/h3-6,8-14,16-19,28H,1-2,7,15,20-23H2,(H,35,36);3-6,8-11,13-18,22,30H,1-2,7,12,19-21,23H2,(H,35,36);4-7,9-12,14-17,26H,2-3,8,13,18-21H2,1H3,(H,32,33);4-5,7-11,13-16,20,27H,2-3,6,12,17-19,21H2,1H3,(H,32,33).

What are the key properties of 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid has a molecular weight of 1958.45 g/mol, XLogP of 27.65, 48 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[cyclopropyl-[4-(2-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methylphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-1-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-(4-naphthalen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 158370208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).