benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate

C31H35NO5 — CID 10983932

IUPACbenzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate
SMILESCOC(=O)C[C@@H]1O[C@H](c2ccccc2)[C@H](c2ccccc2)N(C(=O)OCc2ccccc2)[C@H]1CC(C)C
InChIInChI=1S/C31H35NO5/c1-22(2)19-26-27(20-28(33)35-3)37-30(25-17-11-6-12-18-25)29(24-15-9-5-10-16-24)32(26)31(34)36-21-23-13-7-4-8-14-23/h4-18,22,26-27,29-30H,19-21H2,1-3H3/t26-,27-,29-,30+/m0/s1
InChIKeyLKICWYOQGOYNMV-ZSEJKAPFSA-N
MW501.62 g/mol
LogP6.48
Rot. Bonds8

About benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate

benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate (PubChem CID 10983932) has the molecular formula C31H35NO5 and a molecular weight of 501.62 g/mol. Its IUPAC name is benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate
PubChem CID10983932
Molecular FormulaC31H35NO5
Molecular Weight501.62 g/mol
Exact Mass501.25
IUPAC Namebenzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate
SMILESCOC(=O)C[C@@H]1O[C@H](c2ccccc2)[C@H](c2ccccc2)N(C(=O)OCc2ccccc2)[C@H]1CC(C)C
InChIInChI=1S/C31H35NO5/c1-22(2)19-26-27(20-28(33)35-3)37-30(25-17-11-6-12-18-25)29(24-15-9-5-10-16-24)32(26)31(34)36-21-23-13-7-4-8-14-23/h4-18,22,26-27,29-30H,19-21H2,1-3H3/t26-,27-,29-,30+/m0/s1
InChIKeyLKICWYOQGOYNMV-ZSEJKAPFSA-N
XLogP6.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.62
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-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 benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate?
The IUPAC name of benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate (CID 10983932) is benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate.
What is the SMILES notation for benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate?
The canonical SMILES for benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate is COC(=O)C[C@@H]1O[C@H](c2ccccc2)[C@H](c2ccccc2)N(C(=O)OCc2ccccc2)[C@H]1CC(C)C.
What is the InChIKey of benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate?
The InChIKey is LKICWYOQGOYNMV-ZSEJKAPFSA-N. The full InChI is InChI=1S/C31H35NO5/c1-22(2)19-26-27(20-28(33)35-3)37-30(25-17-11-6-12-18-25)29(24-15-9-5-10-16-24)32(26)31(34)36-21-23-13-7-4-8-14-23/h4-18,22,26-27,29-30H,19-21H2,1-3H3/t26-,27-,29-,30+/m0/s1.
What are the key properties of benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate?
benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate has a molecular weight of 501.62 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3S,5S,6R)-2-(2-methoxy-2-oxoethyl)-3-(2-methylpropyl)-5,6-diphenylmorpholine-4-carboxylate is sourced from PubChem (CID 10983932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).