tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate

C24H27NO4 — CID 11058313

IUPACtert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate
SMILESC=CC[C@H]1C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C24H27NO4/c1-5-12-19-22(26)28-21(18-15-10-7-11-16-18)20(17-13-8-6-9-14-17)25(19)23(27)29-24(2,3)4/h5-11,13-16,19-21H,1,12H2,2-4H3/t19-,20-,21+/m0/s1
InChIKeyJFYVSCSGKFZNON-PCCBWWKXSA-N
MW393.48 g/mol
LogP5.21
Rot. Bonds4

About tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate

tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate (PubChem CID 11058313) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate
PubChem CID11058313
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Nametert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate
SMILESC=CC[C@H]1C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C24H27NO4/c1-5-12-19-22(26)28-21(18-15-10-7-11-16-18)20(17-13-8-6-9-14-17)25(19)23(27)29-24(2,3)4/h5-11,13-16,19-21H,1,12H2,2-4H3/t19-,20-,21+/m0/s1
InChIKeyJFYVSCSGKFZNON-PCCBWWKXSA-N
XLogP5.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate (CID 11058313) is tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate is C=CC[C@H]1C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate?
The InChIKey is JFYVSCSGKFZNON-PCCBWWKXSA-N. The full InChI is InChI=1S/C24H27NO4/c1-5-12-19-22(26)28-21(18-15-10-7-11-16-18)20(17-13-8-6-9-14-17)25(19)23(27)29-24(2,3)4/h5-11,13-16,19-21H,1,12H2,2-4H3/t19-,20-,21+/m0/s1.
What are the key properties of tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate?
tert-butyl (3S,5S,6R)-2-oxo-5,6-diphenyl-3-prop-2-enylmorpholine-4-carboxylate has a molecular weight of 393.48 g/mol, XLogP of 5.21, 4 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-prop-2-enylmorpholine-4-carboxylate is sourced from PubChem (CID 11058313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).