4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid

C16H25NO4 — CID 103410825

IUPAC4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
SMILESCOCCOCCCN(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO4/c1-20-13-14-21-12-6-11-17(10-5-9-16(18)19)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3,(H,18,19)
InChIKeyWZGVIJUYYLLRJF-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.41
Rot. Bonds12

About 4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid

4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid (PubChem CID 103410825) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
PubChem CID103410825
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
SMILESCOCCOCCCN(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO4/c1-20-13-14-21-12-6-11-17(10-5-9-16(18)19)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3,(H,18,19)
InChIKeyWZGVIJUYYLLRJF-UHFFFAOYSA-N
XLogP2.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[N-[3-(2-methoxyethoxy)propyl]-4-methylanilino]propanoic acid
CID 103410820
N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
3-[N-(2-butoxyethyl)anilino]propanoic acid
CID 61483721
4-(N-ethylanilino)butanoic acid
CID 11390560
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603
N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline
CID 155270742
4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid
CID 114814446
2-[N-(4-methoxybutyl)anilino]ethanol
CID 111544024
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
CID 160531229

Frequently Asked Questions

What is the IUPAC name of 4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid?
The IUPAC name of 4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid (CID 103410825) is 4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid.
What is the SMILES notation for 4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid?
The canonical SMILES for 4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid is COCCOCCCN(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid?
The InChIKey is WZGVIJUYYLLRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-20-13-14-21-12-6-11-17(10-5-9-16(18)19)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3,(H,18,19).
What are the key properties of 4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid?
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.41, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid is sourced from PubChem (CID 103410825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).