[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate

C20H23NO3 — CID 2566739

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)OCC(=O)NCc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-3-18(17-7-5-4-6-8-17)20(23)24-14-19(22)21-13-16-11-9-15(2)10-12-16/h4-12,18H,3,13-14H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyJGBROIJQHDDKKN-GOSISDBHSA-N
MW325.41 g/mol
LogP3.35
Rot. Bonds7

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate (PubChem CID 2566739) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate
PubChem CID2566739
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)OCC(=O)NCc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-3-18(17-7-5-4-6-8-17)20(23)24-14-19(22)21-13-16-11-9-15(2)10-12-16/h4-12,18H,3,13-14H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyJGBROIJQHDDKKN-GOSISDBHSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate
CID 7811561
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9230008
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230002
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (2R)-2-phenylbutanoate
CID 9229981
[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 2-phenylbutanoate
CID 55467846
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9229972
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811570
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582782
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2089813
ethyl 2-phenylbutanoate;sulfane
CID 174662373
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9229996

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate (CID 2566739) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate is CC[C@@H](C(=O)OCC(=O)NCc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate?
The InChIKey is JGBROIJQHDDKKN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-18(17-7-5-4-6-8-17)20(23)24-14-19(22)21-13-16-11-9-15(2)10-12-16/h4-12,18H,3,13-14H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate has a molecular weight of 325.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-phenylbutanoate is sourced from PubChem (CID 2566739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).