2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide

C20H22N2O3 — CID 2955639

IUPAC2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CC2OCCN(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C20H22N2O3/c1-15-6-5-9-17(12-15)21-19(23)13-18-20(24)22(10-11-25-18)14-16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3,(H,21,23)
InChIKeyGFFGQEZRMCEREP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.75
Rot. Bonds5

About 2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide

2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide (PubChem CID 2955639) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide
PubChem CID2955639
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CC2OCCN(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C20H22N2O3/c1-15-6-5-9-17(12-15)21-19(23)13-18-20(24)22(10-11-25-18)14-16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3,(H,21,23)
InChIKeyGFFGQEZRMCEREP-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide 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 2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide (CID 2955639) is 2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CC2OCCN(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is GFFGQEZRMCEREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-6-5-9-17(12-15)21-19(23)13-18-20(24)22(10-11-25-18)14-16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3,(H,21,23).
What are the key properties of 2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide?
2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-oxomorpholin-2-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2955639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).