[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate

C25H23NO5 — CID 7884561

IUPAC[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-2-30-21-15-13-20(14-16-21)25(29)26-17-22(27)31-24(19-11-7-4-8-12-19)23(28)18-9-5-3-6-10-18/h3-16,24H,2,17H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyGJSWGTSEXSLSON-DEOSSOPVSA-N
MW417.46 g/mol
LogP3.98
Rot. Bonds9

About [(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate

[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 7884561) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID7884561
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-2-30-21-15-13-20(14-16-21)25(29)26-17-22(27)31-24(19-11-7-4-8-12-19)23(28)18-9-5-3-6-10-18/h3-16,24H,2,17H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyGJSWGTSEXSLSON-DEOSSOPVSA-N
XLogP3.98
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703332
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
(2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 42963752
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27323769
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4556950
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8943779
benzhydryl 2-[(4-butoxybenzoyl)amino]acetate
CID 7905876
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320179
(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 16596540
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884811

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 7884561) is [(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is GJSWGTSEXSLSON-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H23NO5/c1-2-30-21-15-13-20(14-16-21)25(29)26-17-22(27)31-24(19-11-7-4-8-12-19)23(28)18-9-5-3-6-10-18/h3-16,24H,2,17H2,1H3,(H,26,29)/t24-/m0/s1.
What are the key properties of [(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 417.46 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7884561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).