3-(4-ethylanilino)-2-phenylpropanoic acid

C17H19NO2 — CID 64566244

IUPAC3-(4-ethylanilino)-2-phenylpropanoic acid
SMILESCCc1ccc(NCC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-13-8-10-15(11-9-13)18-12-16(17(19)20)14-6-4-3-5-7-14/h3-11,16,18H,2,12H2,1H3,(H,19,20)
InChIKeyXQGJDNUCJKZWGY-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.53
Rot. Bonds6

About 3-(4-ethylanilino)-2-phenylpropanoic acid

3-(4-ethylanilino)-2-phenylpropanoic acid (PubChem CID 64566244) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(4-ethylanilino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(4-ethylanilino)-2-phenylpropanoic acid
PubChem CID64566244
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(4-ethylanilino)-2-phenylpropanoic acid
SMILESCCc1ccc(NCC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-13-8-10-15(11-9-13)18-12-16(17(19)20)14-6-4-3-5-7-14/h3-11,16,18H,2,12H2,1H3,(H,19,20)
InChIKeyXQGJDNUCJKZWGY-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylanilino)-2-phenylpropanoic acid
CID 64566858
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
ethyl 3-(4-methylanilino)-2-phenylpropanoate
CID 3694385
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-(3-iodoanilino)-2-phenylpropanoic acid
CID 64565441
methyl 3-(4-methylanilino)-2-phenylpropanoate
CID 64567482
3-(3-bromoanilino)-2-phenylpropanoic acid
CID 64567059
2-phenyl-3-(2-phenylethylamino)propanoic acid
CID 64564787
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566
3-(3-chloro-4-cyanoanilino)-2-phenylpropanoic acid
CID 62945342
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylanilino)-2-phenylpropanoic acid?
The IUPAC name of 3-(4-ethylanilino)-2-phenylpropanoic acid (CID 64566244) is 3-(4-ethylanilino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(4-ethylanilino)-2-phenylpropanoic acid?
The canonical SMILES for 3-(4-ethylanilino)-2-phenylpropanoic acid is CCc1ccc(NCC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethylanilino)-2-phenylpropanoic acid?
The InChIKey is XQGJDNUCJKZWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-13-8-10-15(11-9-13)18-12-16(17(19)20)14-6-4-3-5-7-14/h3-11,16,18H,2,12H2,1H3,(H,19,20).
What are the key properties of 3-(4-ethylanilino)-2-phenylpropanoic acid?
3-(4-ethylanilino)-2-phenylpropanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylanilino)-2-phenylpropanoic acid is sourced from PubChem (CID 64566244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).