2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide

C21H21N3O4 — CID 140562887

IUPAC2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide
SMILESCN1CCO[C@](Cc2ccccc2)(C(O)C(=O)Nc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C21H21N3O4/c1-24-11-12-28-21(20(24)27,13-15-5-3-2-4-6-15)18(25)19(26)23-17-9-7-16(14-22)8-10-17/h2-10,18,25H,11-13H2,1H3,(H,23,26)/t18?,21-/m1/s1
InChIKeyHTEWLNXEMLZGMV-BDPMCISCSA-N
MW379.42 g/mol
LogP1.33
Rot. Bonds5

About 2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide

2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide (PubChem CID 140562887) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound Name2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide
PubChem CID140562887
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide
SMILESCN1CCO[C@](Cc2ccccc2)(C(O)C(=O)Nc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C21H21N3O4/c1-24-11-12-28-21(20(24)27,13-15-5-3-2-4-6-15)18(25)19(26)23-17-9-7-16(14-22)8-10-17/h2-10,18,25H,11-13H2,1H3,(H,23,26)/t18?,21-/m1/s1
InChIKeyHTEWLNXEMLZGMV-BDPMCISCSA-N
XLogP1.33
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 71692824
CID 71692824
CID 124075406
CID 124075406
CID 54640668
CID 54640668
CID 54640669
CID 54640669
CID 54640670
CID 54640670
CID 54640671
CID 54640671
CID 54640672
CID 54640672
CID 58181437
CID 58181437
CID 67222178
CID 67222178
CID 67222633
CID 67222633
CID 76716973
CID 76716973
CID 77243074
CID 77243074

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide?
The IUPAC name of 2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide (CID 140562887) is 2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide.
What is the SMILES notation for 2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide?
The canonical SMILES for 2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide is CN1CCO[C@](Cc2ccccc2)(C(O)C(=O)Nc2ccc(C#N)cc2)C1=O.
What is the InChIKey of 2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide?
The InChIKey is HTEWLNXEMLZGMV-BDPMCISCSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-24-11-12-28-21(20(24)27,13-15-5-3-2-4-6-15)18(25)19(26)23-17-9-7-16(14-22)8-10-17/h2-10,18,25H,11-13H2,1H3,(H,23,26)/t18?,21-/m1/s1.
What are the key properties of 2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide?
2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide has a molecular weight of 379.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-benzyl-4-methyl-3-oxomorpholin-2-yl]-N-(4-cyanophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 140562887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).