2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid

C138H147N7O27 — CID 157433613

About 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid

2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid (PubChem CID 157433613) has the molecular formula C138H147N7O27 and a molecular weight of 2343.76 g/mol. Its IUPAC name is 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid.

Molecular Properties

• Compound Name: 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid
• PubChem CID: 157433613
• Molecular Formula: C138H147N7O27
• Molecular Weight: 2343.76 g/mol
• Exact Mass: 2342.08
• IUPAC Name: 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid
• SMILES: [2H]C(C)(C)N(Cc1ccccc1OC1CCC(CC(=O)O)CC1)C(=O)c1ccc(-c2ccco2)cc1.[2H]C(C)(C)N(Cc1ccccc1OCc1cc(CC(=O)O)no1)C(=O)c1ccc(-c2ccco2)cc1.[2H]C([2H])(c1ccccc1OC1CCC(CC(=O)O)CC1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C([2H])(c1ccccc1OCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C([2H])(c1ccccc1OCc1cc(CC(=O)O)no1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C
• InChI: InChI=1S/2C29H33NO5.2C27H26N2O6.C26H29NO5/c2*1-20(2)30(29(33)23-13-11-22(12-14-23)26-8-5-17-34-26)19-24-6-3-4-7-27(24)35-25-15-9-21(10-16-25)18-28(31)32;2*1-18(2)29(27(32)20-11-9-19(10-12-20)24-8-5-13-33-24)16-21-6-3-4-7-25(21)34-17-23-14-22(28-35-23)15-26(30)31;1-19(2)27(26(30)21-14-12-20(13-15-21)23-10-7-17-32-23)18-22-8-3-4-9-24(22)31-16-6-5-11-25(28)29/h2*3-8,11-14,17,20-21,25H,9-10,15-16,18-19H2,1-2H3,(H,31,32);2*3-14,18H,15-17H2,1-2H3,(H,30,31);3-4,7-10,12-15,17,19H,5-6,11,16,18H2,1-2H3,(H,28,29)/i20D;19D2;18D;16D2;18D2
• InChIKey: BQVJDGDGJLVYFP-XIDPNVMTSA-N
• XLogP: 28.83
• TPSA: 451.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 49
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2343.76
LogP ≤ 5	28.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid?

The IUPAC name of 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid (CID 157433613) is 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid.

What is the SMILES notation for 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid?

The canonical SMILES for 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid is [2H]C(C)(C)N(Cc1ccccc1OC1CCC(CC(=O)O)CC1)C(=O)c1ccc(-c2ccco2)cc1.[2H]C(C)(C)N(Cc1ccccc1OCc1cc(CC(=O)O)no1)C(=O)c1ccc(-c2ccco2)cc1.[2H]C([2H])(c1ccccc1OC1CCC(CC(=O)O)CC1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C([2H])(c1ccccc1OCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C([2H])(c1ccccc1OCc1cc(CC(=O)O)no1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.

What is the InChIKey of 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid?

The InChIKey is BQVJDGDGJLVYFP-XIDPNVMTSA-N. The full InChI is InChI=1S/2C29H33NO5.2C27H26N2O6.C26H29NO5/c2*1-20(2)30(29(33)23-13-11-22(12-14-23)26-8-5-17-34-26)19-24-6-3-4-7-27(24)35-25-15-9-21(10-16-25)18-28(31)32;2*1-18(2)29(27(32)20-11-9-19(10-12-20)24-8-5-13-33-24)16-21-6-3-4-7-25(21)34-17-23-14-22(28-35-23)15-26(30)31;1-19(2)27(26(30)21-14-12-20(13-15-21)23-10-7-17-32-23)18-22-8-3-4-9-24(22)31-16-6-5-11-25(28)29/h2*3-8,11-14,17,20-21,25H,9-10,15-16,18-19H2,1-2H3,(H,31,32);2*3-14,18H,15-17H2,1-2H3,(H,30,31);3-4,7-10,12-15,17,19H,5-6,11,16,18H2,1-2H3,(H,28,29)/i20D;19D2;18D;16D2;18D2.

What are the key properties of 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid?

2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid has a molecular weight of 2343.76 g/mol, XLogP of 28.83, 49 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid is sourced from PubChem (CID 157433613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).