[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate

C20H23NO3 — CID 7811561

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)OCC(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-2-18(17-11-7-4-8-12-17)20(23)24-15-19(22)21-14-13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H,21,22)/t18-/m1/s1
InChIKeyFJYPGZKZSAHCDG-GOSISDBHSA-N
MW325.41 g/mol
LogP3.08
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate

[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate (PubChem CID 7811561) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate
PubChem CID7811561
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)OCC(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-2-18(17-11-7-4-8-12-17)20(23)24-15-19(22)21-14-13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H,21,22)/t18-/m1/s1
InChIKeyFJYPGZKZSAHCDG-GOSISDBHSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811570
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (2R)-2-phenylbutanoate
CID 9229981
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9229996
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-phenylbutanoate
CID 46619032
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9230008
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 2566739
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230002
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772104
[2-(2-benzylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811096
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9229972
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate (CID 7811561) is [2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate is CC[C@@H](C(=O)OCC(=O)NCCc1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate?
The InChIKey is FJYPGZKZSAHCDG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-18(17-11-7-4-8-12-17)20(23)24-15-19(22)21-14-13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H,21,22)/t18-/m1/s1.
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate?
[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate has a molecular weight of 325.41 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate is sourced from PubChem (CID 7811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).