tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate

C34H43NO4Si — CID 86757601

IUPACtert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate
SMILESCC[Si](CC)(CC)c1cccc(C[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C34H43NO4Si/c1-7-40(8-2,9-3)28-22-16-17-25(23-28)24-29-32(36)38-31(27-20-14-11-15-21-27)30(26-18-12-10-13-19-26)35(29)33(37)39-34(4,5)6/h10-23,29-31H,7-9,24H2,1-6H3/t29-,30-,31+/m0/s1
InChIKeyOUANYCHEXWXFFQ-RWSKJCERSA-N
MW557.81 g/mol
LogP7.59
Rot. Bonds8

About tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate

tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate (PubChem CID 86757601) has the molecular formula C34H43NO4Si and a molecular weight of 557.81 g/mol. Its IUPAC name is tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate
PubChem CID86757601
Molecular FormulaC34H43NO4Si
Molecular Weight557.81 g/mol
Exact Mass557.30
IUPAC Nametert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate
SMILESCC[Si](CC)(CC)c1cccc(C[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C34H43NO4Si/c1-7-40(8-2,9-3)28-22-16-17-25(23-28)24-29-32(36)38-31(27-20-14-11-15-21-27)30(26-18-12-10-13-19-26)35(29)33(37)39-34(4,5)6/h10-23,29-31H,7-9,24H2,1-6H3/t29-,30-,31+/m0/s1
InChIKeyOUANYCHEXWXFFQ-RWSKJCERSA-N
XLogP7.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.81
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate with MolForge

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Related Compounds

1,3-Diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
CID 445644
1,3-Diphenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338317
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid (R)-1,3-diphenyl-propyl ester
CID 44365490
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981233
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine
CID 981238
Benzyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 3902786
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
benzyl (3S,5S,6R)-3-[(2-cyclopentylphenyl)methyl]-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 44531135
1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981225
[(1S)-1,3-diphenylpropyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 57322586
1,3-diphenylpropyl (2R)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338394

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate (CID 86757601) is tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate is CC[Si](CC)(CC)c1cccc(C[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate?
The InChIKey is OUANYCHEXWXFFQ-RWSKJCERSA-N. The full InChI is InChI=1S/C34H43NO4Si/c1-7-40(8-2,9-3)28-22-16-17-25(23-28)24-29-32(36)38-31(27-20-14-11-15-21-27)30(26-18-12-10-13-19-26)35(29)33(37)39-34(4,5)6/h10-23,29-31H,7-9,24H2,1-6H3/t29-,30-,31+/m0/s1.
What are the key properties of tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate?
tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate has a molecular weight of 557.81 g/mol, XLogP of 7.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-[(3-triethylsilylphenyl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 86757601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).