ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate

C20H21NO4 — CID 134870615

IUPACethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate
SMILESCCOC(=O)C[C@H]1N[C@H](c2ccccc2)[C@H](c2ccccc2)OC1=O
InChIInChI=1S/C20H21NO4/c1-2-24-17(22)13-16-20(23)25-19(15-11-7-4-8-12-15)18(21-16)14-9-5-3-6-10-14/h3-12,16,18-19,21H,2,13H2,1H3/t16-,18-,19+/m1/s1
InChIKeyVFLDIGJHUGRZLR-QRQLOZEOSA-N
MW339.39 g/mol
LogP2.94
Rot. Bonds5

About ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate

ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate (PubChem CID 134870615) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate
PubChem CID134870615
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Nameethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate
SMILESCCOC(=O)C[C@H]1N[C@H](c2ccccc2)[C@H](c2ccccc2)OC1=O
InChIInChI=1S/C20H21NO4/c1-2-24-17(22)13-16-20(23)25-19(15-11-7-4-8-12-15)18(21-16)14-9-5-3-6-10-14/h3-12,16,18-19,21H,2,13H2,1H3/t16-,18-,19+/m1/s1
InChIKeyVFLDIGJHUGRZLR-QRQLOZEOSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate with MolForge

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Related Compounds

3-Benzyloxy-2-phenyl-piperidine
CID 44331794
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
Levophacetoperane
CID 15706387
2-Phenyl-3-(1-phenyl-ethoxy)-piperidine
CID 44331715
1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981225
(5R,6S)-5.6-Diphenyl-2-morpholinone
CID 11322747
2,3-Diphenylmorpholine
CID 237154
Phacetoperane
CID 558526
Fenbutrazate hydrochloride
CID 22982
2-Piperidinemethanol, alpha-phenyl-, 2-acetate, hydrochloride (1:1), (alphaR,2R)-
CID 76957863
[(1S,2S)-2-[2-acetamidoethyl(acetyl)amino]-1,2-diphenylethyl] acetate
CID 90680258

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate (CID 134870615) is ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate is CCOC(=O)C[C@H]1N[C@H](c2ccccc2)[C@H](c2ccccc2)OC1=O.
What is the InChIKey of ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate?
The InChIKey is VFLDIGJHUGRZLR-QRQLOZEOSA-N. The full InChI is InChI=1S/C20H21NO4/c1-2-24-17(22)13-16-20(23)25-19(15-11-7-4-8-12-15)18(21-16)14-9-5-3-6-10-14/h3-12,16,18-19,21H,2,13H2,1H3/t16-,18-,19+/m1/s1.
What are the key properties of ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate?
ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate has a molecular weight of 339.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R,5R,6S)-2-oxo-5,6-diphenylmorpholin-3-yl]acetate is sourced from PubChem (CID 134870615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).