4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid

C21H28N2O3 — CID 25109388

IUPAC4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
SMILESCCCCN(CCOc1ccc(CCCC(=O)O)cc1)c1ccccn1
InChIInChI=1S/C21H28N2O3/c1-2-3-15-23(20-8-4-5-14-22-20)16-17-26-19-12-10-18(11-13-19)7-6-9-21(24)25/h4-5,8,10-14H,2-3,6-7,9,15-17H2,1H3,(H,24,25)
InChIKeyUMFJXMJBMUAFEN-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.17
Rot. Bonds12

About 4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid

4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid (PubChem CID 25109388) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
PubChem CID25109388
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
SMILESCCCCN(CCOc1ccc(CCCC(=O)O)cc1)c1ccccn1
InChIInChI=1S/C21H28N2O3/c1-2-3-15-23(20-8-4-5-14-22-20)16-17-26-19-12-10-18(11-13-19)7-6-9-21(24)25/h4-5,8,10-14H,2-3,6-7,9,15-17H2,1H3,(H,24,25)
InChIKeyUMFJXMJBMUAFEN-UHFFFAOYSA-N
XLogP4.17
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid
CID 25109446
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
N-butyl-N-propylpyridin-2-amine
CID 138339518
3-(4-butoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185267
4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-6-methyl-N-phenylpyridin-2-amine;4-[4-[2-[N-(1,3-thiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid
CID 158126262
3-(4-butylphenoxy)-1-phenylpropan-1-one
CID 116692186
4-[4-[(4-dodecylphenyl)diazenyl]phenoxy]butanoic acid
CID 86173212
11-[4-[(4-pentylphenyl)diazenyl]phenoxy]undecanoic acid
CID 101447317
6-[4-[(4-octylphenyl)diazenyl]phenoxy]hexanoic acid
CID 56996290
4-[4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]phenyl]butanoic acid
CID 67802475
4-[4-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]butanoic acid
CID 67802477
3-[4-[3-(dimethylamino)propoxy]phenyl]propanoic acid
CID 20986252

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid?
The IUPAC name of 4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid (CID 25109388) is 4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid is CCCCN(CCOc1ccc(CCCC(=O)O)cc1)c1ccccn1.
What is the InChIKey of 4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid?
The InChIKey is UMFJXMJBMUAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-3-15-23(20-8-4-5-14-22-20)16-17-26-19-12-10-18(11-13-19)7-6-9-21(24)25/h4-5,8,10-14H,2-3,6-7,9,15-17H2,1H3,(H,24,25).
What are the key properties of 4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid?
4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid has a molecular weight of 356.47 g/mol, XLogP of 4.17, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid is sourced from PubChem (CID 25109388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).