3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid

C23H25NO3 — CID 23121301

IUPAC3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid
SMILESO=C(O)CCNCCc1cccc(OCCc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25NO3/c25-23(26)11-14-24-13-10-18-4-3-7-22(17-18)27-15-12-19-8-9-20-5-1-2-6-21(20)16-19/h1-9,16-17,24H,10-15H2,(H,25,26)
InChIKeyOALMWJWLNNLOBD-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.07
Rot. Bonds10

About 3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid

3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid (PubChem CID 23121301) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid
PubChem CID23121301
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid
SMILESO=C(O)CCNCCc1cccc(OCCc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25NO3/c25-23(26)11-14-24-13-10-18-4-3-7-22(17-18)27-15-12-19-8-9-20-5-1-2-6-21(20)16-19/h1-9,16-17,24H,10-15H2,(H,25,26)
InChIKeyOALMWJWLNNLOBD-UHFFFAOYSA-N
XLogP4.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-naphthalen-2-ylethylamino)propanoic acid
CID 115218333
3-[2-(3-hexoxyphenyl)ethylamino]propanoic acid
CID 23121635
3-[2-(3-decoxyphenyl)ethylamino]propanoic acid
CID 23121759
4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid
CID 20991274
2-[2-(3-benzylphenoxy)ethyl]naphthalene
CID 141063921
3-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methylamino]propanoic acid
CID 23121480
3-(2-naphthalen-2-ylethoxy)benzoic acid
CID 139922082
3-[2-(3-pentoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121382
(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid
CID 69316412
3-[2-(3-nonoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 66853279
6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744
3-[2-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121186

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid?
The IUPAC name of 3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid (CID 23121301) is 3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid?
The canonical SMILES for 3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid is O=C(O)CCNCCc1cccc(OCCc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid?
The InChIKey is OALMWJWLNNLOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c25-23(26)11-14-24-13-10-18-4-3-7-22(17-18)27-15-12-19-8-9-20-5-1-2-6-21(20)16-19/h1-9,16-17,24H,10-15H2,(H,25,26).
What are the key properties of 3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid?
3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid has a molecular weight of 363.46 g/mol, XLogP of 4.07, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid is sourced from PubChem (CID 23121301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).