3-[N-(2-butoxyethyl)anilino]propanoic acid

C15H23NO3 — CID 61483721

IUPAC3-[N-(2-butoxyethyl)anilino]propanoic acid
SMILESCCCCOCCN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-3-12-19-13-11-16(10-9-15(17)18)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,17,18)
InChIKeyPTJCMSRGZOHGSL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.78
Rot. Bonds10

About 3-[N-(2-butoxyethyl)anilino]propanoic acid

3-[N-(2-butoxyethyl)anilino]propanoic acid (PubChem CID 61483721) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[N-(2-butoxyethyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(2-butoxyethyl)anilino]propanoic acid
PubChem CID61483721
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[N-(2-butoxyethyl)anilino]propanoic acid
SMILESCCCCOCCN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-3-12-19-13-11-16(10-9-15(17)18)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,17,18)
InChIKeyPTJCMSRGZOHGSL-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
CID 103410825
3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
CID 112590567
2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
CID 160531229
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
3-[N-(3-ethylsulfanylpropyl)anilino]propanoic acid
CID 113473905
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
3-(N-butylanilino)propanamide
CID 63172183
3-[N-[3-(2-methoxyethoxy)propyl]-4-methylanilino]propanoic acid
CID 103410820
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
3-(N-(2-hydroxy-3-methoxypropyl)anilino)propanoic acid
CID 63930935
2-(N-decylanilino)ethyl acetate
CID 70658915

Frequently Asked Questions

What is the IUPAC name of 3-[N-(2-butoxyethyl)anilino]propanoic acid?
The IUPAC name of 3-[N-(2-butoxyethyl)anilino]propanoic acid (CID 61483721) is 3-[N-(2-butoxyethyl)anilino]propanoic acid.
What is the SMILES notation for 3-[N-(2-butoxyethyl)anilino]propanoic acid?
The canonical SMILES for 3-[N-(2-butoxyethyl)anilino]propanoic acid is CCCCOCCN(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[N-(2-butoxyethyl)anilino]propanoic acid?
The InChIKey is PTJCMSRGZOHGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-12-19-13-11-16(10-9-15(17)18)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,17,18).
What are the key properties of 3-[N-(2-butoxyethyl)anilino]propanoic acid?
3-[N-(2-butoxyethyl)anilino]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2-butoxyethyl)anilino]propanoic acid is sourced from PubChem (CID 61483721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).