6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid

C150H165N5O25 — CID 157490995

About 6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid

6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid (PubChem CID 157490995) has the molecular formula C150H165N5O25 and a molecular weight of 2446.03 g/mol. Its IUPAC name is 6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid
• PubChem CID: 157490995
• Molecular Formula: C150H165N5O25
• Molecular Weight: 2446.03 g/mol
• Exact Mass: 2444.23
• IUPAC Name: 6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid
• SMILES: [2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccc(OC)cc2)cc1)C1CC1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2cccc(OC)c2)cc1)C1CC1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccccc2OC)cc1)C1CC1.[2H]C1(N(Cc2ccccc2OCCCCCC(=O)O)C(=O)c2ccc(-c3cccc(OC)c3)cc2)CC1.[2H]C1(N(Cc2ccccc2OCCCCCC(=O)O)C(=O)c2ccc(-c3ccccc3OC)cc2)CC1
• InChI: InChI=1S/5C30H33NO5/c2*1-35-28-12-7-5-10-26(28)22-14-16-23(17-15-22)30(34)31(25-18-19-25)21-24-9-4-6-11-27(24)36-20-8-2-3-13-29(32)33;2*1-35-27-10-7-9-24(20-27)22-13-15-23(16-14-22)30(34)31(26-17-18-26)21-25-8-4-5-11-28(25)36-19-6-2-3-12-29(32)33;1-35-27-18-14-23(15-19-27)22-10-12-24(13-11-22)30(34)31(26-16-17-26)21-25-7-4-5-8-28(25)36-20-6-2-3-9-29(32)33/h2*4-7,9-12,14-17,25H,2-3,8,13,18-21H2,1H3,(H,32,33);2*4-5,7-11,13-16,20,26H,2-3,6,12,17-19,21H2,1H3,(H,32,33);4-5,7-8,10-15,18-19,26H,2-3,6,9,16-17,20-21H2,1H3,(H,32,33)/i25D;21D2;26D;2*21D2
• InChIKey: BXGRXXLEACNAJR-AFBVNFKESA-N
• XLogP: 30.95
• TPSA: 380.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 65
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2446.03
LogP ≤ 5	30.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

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-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid (CID 157490995) is 6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid.

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

The canonical SMILES for 6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid is [2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccc(OC)cc2)cc1)C1CC1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2cccc(OC)c2)cc1)C1CC1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(C(=O)c1ccc(-c2ccccc2OC)cc1)C1CC1.[2H]C1(N(Cc2ccccc2OCCCCCC(=O)O)C(=O)c2ccc(-c3cccc(OC)c3)cc2)CC1.[2H]C1(N(Cc2ccccc2OCCCCCC(=O)O)C(=O)c2ccc(-c3ccccc3OC)cc2)CC1.

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

The InChIKey is BXGRXXLEACNAJR-AFBVNFKESA-N. The full InChI is InChI=1S/5C30H33NO5/c2*1-35-28-12-7-5-10-26(28)22-14-16-23(17-15-22)30(34)31(25-18-19-25)21-24-9-4-6-11-27(24)36-20-8-2-3-13-29(32)33;2*1-35-27-10-7-9-24(20-27)22-13-15-23(16-14-22)30(34)31(26-17-18-26)21-25-8-4-5-11-28(25)36-19-6-2-3-12-29(32)33;1-35-27-18-14-23(15-19-27)22-10-12-24(13-11-22)30(34)31(26-16-17-26)21-25-7-4-5-8-28(25)36-20-6-2-3-9-29(32)33/h2*4-7,9-12,14-17,25H,2-3,8,13,18-21H2,1H3,(H,32,33);2*4-5,7-11,13-16,20,26H,2-3,6,12,17-19,21H2,1H3,(H,32,33);4-5,7-8,10-15,18-19,26H,2-3,6,9,16-17,20-21H2,1H3,(H,32,33)/i25D;21D2;26D;2*21D2.

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

6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid has a molecular weight of 2446.03 g/mol, XLogP of 30.95, 65 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(2-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuteriocyclopropyl)-[4-(3-methoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 157490995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).