2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid

C26H35FN2O6 — CID 22233744

IUPAC2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
SMILESCCCNC(=O)N(CCCOc1ccc(F)cc1)CCOc1ccc(CC(OCC)C(=O)O)cc1
InChIInChI=1S/C26H35FN2O6/c1-3-14-28-26(32)29(15-5-17-34-23-12-8-21(27)9-13-23)16-18-35-22-10-6-20(7-11-22)19-24(25(30)31)33-4-2/h6-13,24H,3-5,14-19H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyHRTDWIRLVDGTOH-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.13
Rot. Bonds16

About 2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid

2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid (PubChem CID 22233744) has the molecular formula C26H35FN2O6 and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
PubChem CID22233744
Molecular FormulaC26H35FN2O6
Molecular Weight490.57 g/mol
Exact Mass490.25
IUPAC Name2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
SMILESCCCNC(=O)N(CCCOc1ccc(F)cc1)CCOc1ccc(CC(OCC)C(=O)O)cc1
InChIInChI=1S/C26H35FN2O6/c1-3-14-28-26(32)29(15-5-17-34-23-12-8-21(27)9-13-23)16-18-35-22-10-6-20(7-11-22)19-24(25(30)31)33-4-2/h6-13,24H,3-5,14-19H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyHRTDWIRLVDGTOH-UHFFFAOYSA-N
XLogP4.13
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-3-[4-[2-[3-phenoxypropyl(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22231026
2-ethoxy-3-[4-[2-[3-propoxypropyl(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22234494
2-ethoxy-3-[4-[2-[propylcarbamoyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethoxy]phenyl]propanoic acid
CID 22232624
2-ethoxy-3-[4-[2-[(4-fluorophenyl)methylcarbamoyl-(3-propoxypropyl)amino]ethoxy]phenyl]propanoic acid
CID 22229911
2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid
CID 22233652
2-ethoxy-3-[4-[2-[3-(4-fluorophenyl)propyl-(2,2,2-trifluoroethylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22233649
2-ethoxy-3-[4-[2-[5,5,6,6,7,7,7-heptafluoroheptyl(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22230033
3-[4-[2-[butylcarbamoyl-[3-(3,5-dichlorophenoxy)propyl]amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22232382
3-[4-[2-[4-cyclohexylbutyl(propylcarbamoyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22231252
3-[4-[2-[butylcarbamoyl(3,3-dimethylbutyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22230528
2-ethoxy-3-[4-[2-[2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22234566
3-[4-[2-[butylcarbamoyl(7,7,7-trifluoroheptyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22231132

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid (CID 22233744) is 2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid is CCCNC(=O)N(CCCOc1ccc(F)cc1)CCOc1ccc(CC(OCC)C(=O)O)cc1.
What is the InChIKey of 2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid?
The InChIKey is HRTDWIRLVDGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O6/c1-3-14-28-26(32)29(15-5-17-34-23-12-8-21(27)9-13-23)16-18-35-22-10-6-20(7-11-22)19-24(25(30)31)33-4-2/h6-13,24H,3-5,14-19H2,1-2H3,(H,28,32)(H,30,31).
What are the key properties of 2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid?
2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid has a molecular weight of 490.57 g/mol, XLogP of 4.13, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 22233744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).