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

C25H42N2O5 — CID 22233652

IUPAC2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid
SMILESCCCNC(=O)N(CCOc1ccc(CC(OCC)C(=O)O)cc1)CC(CCC)CCC
InChIInChI=1S/C25H42N2O5/c1-5-9-21(10-6-2)19-27(25(30)26-15-7-3)16-17-32-22-13-11-20(12-14-22)18-23(24(28)29)31-8-4/h11-14,21,23H,5-10,15-19H2,1-4H3,(H,26,30)(H,28,29)
InChIKeyCBSPANGHKASLEA-UHFFFAOYSA-N
MW450.62 g/mol
LogP4.74
Rot. Bonds17

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

2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid (PubChem CID 22233652) has the molecular formula C25H42N2O5 and a molecular weight of 450.62 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid
PubChem CID22233652
Molecular FormulaC25H42N2O5
Molecular Weight450.62 g/mol
Exact Mass450.31
IUPAC Name2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid
SMILESCCCNC(=O)N(CCOc1ccc(CC(OCC)C(=O)O)cc1)CC(CCC)CCC
InChIInChI=1S/C25H42N2O5/c1-5-9-21(10-6-2)19-27(25(30)26-15-7-3)16-17-32-22-13-11-20(12-14-22)18-23(24(28)29)31-8-4/h11-14,21,23H,5-10,15-19H2,1-4H3,(H,26,30)(H,28,29)
InChIKeyCBSPANGHKASLEA-UHFFFAOYSA-N
XLogP4.74
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-[4-[2-[3-(4-fluorophenoxy)propyl-(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22233744
2-ethoxy-3-[4-[2-[3-phenoxypropyl(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22231026
2-ethoxy-3-[4-[2-[2-ethylbutyl(ethylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22233136
2-ethoxy-3-[4-[2-[(2-fluorophenyl)carbamoyl-(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid
CID 22234491
2-ethoxy-3-[4-[2-[3-propoxypropyl(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22234494
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
2-ethoxy-3-[4-[2-[propylcarbamoyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethoxy]phenyl]propanoic acid
CID 22232624
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-dimethylbutyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22230528
3-[4-[2-[(2,4-dichlorophenoxy)carbonyl-(2-propylpentyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22231221
3-[4-[2-[4-cyclohexylbutyl(propylcarbamoyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22231252
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-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid (CID 22233652) is 2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid is CCCNC(=O)N(CCOc1ccc(CC(OCC)C(=O)O)cc1)CC(CCC)CCC.
What is the InChIKey of 2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid?
The InChIKey is CBSPANGHKASLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O5/c1-5-9-21(10-6-2)19-27(25(30)26-15-7-3)16-17-32-22-13-11-20(12-14-22)18-23(24(28)29)31-8-4/h11-14,21,23H,5-10,15-19H2,1-4H3,(H,26,30)(H,28,29).
What are the key properties of 2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid?
2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid has a molecular weight of 450.62 g/mol, XLogP of 4.74, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-[2-[propylcarbamoyl(2-propylpentyl)amino]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 22233652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).