[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate

C23H21NO4 — CID 7980293

IUPAC[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
SMILESC[C@H](OC(=O)COc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H21NO4/c1-17(28-22(25)16-27-19-12-6-3-7-13-19)23(26)24-21-15-9-8-14-20(21)18-10-4-2-5-11-18/h2-15,17H,16H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyZKCFSZIIPCDWJN-KRWDZBQOSA-N
MW375.42 g/mol
LogP4.30
Rot. Bonds7

About [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate (PubChem CID 7980293) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
PubChem CID7980293
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
SMILESC[C@H](OC(=O)COc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H21NO4/c1-17(28-22(25)16-27-19-12-6-3-7-13-19)23(26)24-21-15-9-8-14-20(21)18-10-4-2-5-11-18/h2-15,17H,16H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyZKCFSZIIPCDWJN-KRWDZBQOSA-N
XLogP4.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791471
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate
CID 18273755
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42969147
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate
CID 7841449
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854072
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847274
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608700
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-nitrophenoxy)acetate
CID 42968431
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-(carbamoylamino)propanoate
CID 8641965
[1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate
CID 46819587
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8549887
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate?
The IUPAC name of [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate (CID 7980293) is [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate?
The canonical SMILES for [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate is C[C@H](OC(=O)COc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate?
The InChIKey is ZKCFSZIIPCDWJN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H21NO4/c1-17(28-22(25)16-27-19-12-6-3-7-13-19)23(26)24-21-15-9-8-14-20(21)18-10-4-2-5-11-18/h2-15,17H,16H2,1H3,(H,24,26)/t17-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate?
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate has a molecular weight of 375.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate is sourced from PubChem (CID 7980293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).