(3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one

C33H33NO3 — CID 101111219

IUPAC(3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@]1(CCOCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H33NO3/c35-32-33(23-27-13-5-1-6-14-27,21-22-36-25-29-17-9-3-10-18-29)34(24-28-15-7-2-8-16-28)31(26-37-32)30-19-11-4-12-20-30/h1-20,31H,21-26H2/t31-,33-/m0/s1
InChIKeyLGLJOURATKFVKE-WEZIJMHWSA-N
MW491.63 g/mol
LogP6.38
Rot. Bonds10

About (3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one

(3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one (PubChem CID 101111219) has the molecular formula C33H33NO3 and a molecular weight of 491.63 g/mol. Its IUPAC name is (3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one.

Molecular Properties

Compound Name(3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one
PubChem CID101111219
Molecular FormulaC33H33NO3
Molecular Weight491.63 g/mol
Exact Mass491.25
IUPAC Name(3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@]1(CCOCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H33NO3/c35-32-33(23-27-13-5-1-6-14-27,21-22-36-25-29-17-9-3-10-18-29)34(24-28-15-7-2-8-16-28)31(26-37-32)30-19-11-4-12-20-30/h1-20,31H,21-26H2/t31-,33-/m0/s1
InChIKeyLGLJOURATKFVKE-WEZIJMHWSA-N
XLogP6.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one?
The IUPAC name of (3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one (CID 101111219) is (3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one.
What is the SMILES notation for (3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one?
The canonical SMILES for (3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one is O=C1OC[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@]1(CCOCc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one?
The InChIKey is LGLJOURATKFVKE-WEZIJMHWSA-N. The full InChI is InChI=1S/C33H33NO3/c35-32-33(23-27-13-5-1-6-14-27,21-22-36-25-29-17-9-3-10-18-29)34(24-28-15-7-2-8-16-28)31(26-37-32)30-19-11-4-12-20-30/h1-20,31H,21-26H2/t31-,33-/m0/s1.
What are the key properties of (3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one?
(3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one has a molecular weight of 491.63 g/mol, XLogP of 6.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,4-dibenzyl-5-phenyl-3-(2-phenylmethoxyethyl)morpholin-2-one is sourced from PubChem (CID 101111219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).