3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid

C127H153N11O18 — CID 158394564

About 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid

3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid (PubChem CID 158394564) has the molecular formula C127H153N11O18 and a molecular weight of 2121.68 g/mol. Its IUPAC name is 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid.

Molecular Properties

• Compound Name: 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid
• PubChem CID: 158394564
• Molecular Formula: C127H153N11O18
• Molecular Weight: 2121.68 g/mol
• Exact Mass: 2120.14
• IUPAC Name: 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid
• SMILES: CCCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1.CCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1.CCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1.CCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2ccccc2)cc1.O=C(O)CCc1ccc(OCCCN(c2ccccc2)c2ccccn2)cc1
• InChI: InChI=1S/C24H25NO3.C23H24N2O3.C22H30N2O3.C21H28N2O3.C19H24N2O3.C18H22N2O3/c26-24(27)13-7-8-20-14-16-23(17-15-20)28-19-18-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22;26-23(27)15-12-19-10-13-21(14-11-19)28-18-6-17-25(20-7-2-1-3-8-20)22-9-4-5-16-24-22;1-2-3-4-7-16-24(21-8-5-6-15-23-21)17-18-27-20-12-9-19(10-13-20)11-14-22(25)26;1-2-3-6-15-23(20-7-4-5-14-22-20)16-17-26-19-11-8-18(9-12-19)10-13-21(24)25;1-2-13-21(18-5-3-4-12-20-18)14-15-24-17-9-6-16(7-10-17)8-11-19(22)23;1-2-20(17-5-3-4-12-19-17)13-14-23-16-9-6-15(7-10-16)8-11-18(21)22/h1-6,9-12,14-17H,7-8,13,18-19H2,(H,26,27);1-5,7-11,13-14,16H,6,12,15,17-18H2,(H,26,27);5-6,8-10,12-13,15H,2-4,7,11,14,16-18H2,1H3,(H,25,26);4-5,7-9,11-12,14H,2-3,6,10,13,15-17H2,1H3,(H,24,25);3-7,9-10,12H,2,8,11,13-15H2,1H3,(H,22,23);3-7,9-10,12H,2,8,11,13-14H2,1H3,(H,21,22)
• InChIKey: GXJPZNBVSVJFJU-UHFFFAOYSA-N
• XLogP: 25.15
• TPSA: 363.07 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 64
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2121.68
LogP ≤ 5	25.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid?

The IUPAC name of 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid (CID 158394564) is 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid.

What is the SMILES notation for 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid?

The canonical SMILES for 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid is CCCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1.CCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1.CCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1.CCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2ccccc2)cc1.O=C(O)CCc1ccc(OCCCN(c2ccccc2)c2ccccn2)cc1.

What is the InChIKey of 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid?

The InChIKey is GXJPZNBVSVJFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3.C23H24N2O3.C22H30N2O3.C21H28N2O3.C19H24N2O3.C18H22N2O3/c26-24(27)13-7-8-20-14-16-23(17-15-20)28-19-18-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22;26-23(27)15-12-19-10-13-21(14-11-19)28-18-6-17-25(20-7-2-1-3-8-20)22-9-4-5-16-24-22;1-2-3-4-7-16-24(21-8-5-6-15-23-21)17-18-27-20-12-9-19(10-13-20)11-14-22(25)26;1-2-3-6-15-23(20-7-4-5-14-22-20)16-17-26-19-11-8-18(9-12-19)10-13-21(24)25;1-2-13-21(18-5-3-4-12-20-18)14-15-24-17-9-6-16(7-10-17)8-11-19(22)23;1-2-20(17-5-3-4-12-19-17)13-14-23-16-9-6-15(7-10-16)8-11-18(21)22/h1-6,9-12,14-17H,7-8,13,18-19H2,(H,26,27);1-5,7-11,13-14,16H,6,12,15,17-18H2,(H,26,27);5-6,8-10,12-13,15H,2-4,7,11,14,16-18H2,1H3,(H,25,26);4-5,7-9,11-12,14H,2-3,6,10,13,15-17H2,1H3,(H,24,25);3-7,9-10,12H,2,8,11,13-15H2,1H3,(H,22,23);3-7,9-10,12H,2,8,11,13-14H2,1H3,(H,21,22).

What are the key properties of 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid?

3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid has a molecular weight of 2121.68 g/mol, XLogP of 25.15, 64 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[2-[pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;3-[4-[3-(N-pyridin-2-ylanilino)propoxy]phenyl]propanoic acid is sourced from PubChem (CID 158394564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).