2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide

C20H22N2O3 — CID 110367084

IUPAC2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
SMILESCc1cccc(N2CC(CNC(=O)c3ccccc3C)OCC2=O)c1
InChIInChI=1S/C20H22N2O3/c1-14-6-5-8-16(10-14)22-12-17(25-13-19(22)23)11-21-20(24)18-9-4-3-7-15(18)2/h3-10,17H,11-13H2,1-2H3,(H,21,24)
InChIKeySBFBTHIOHJFIEU-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.47
Rot. Bonds4

About 2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide

2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide (PubChem CID 110367084) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
PubChem CID110367084
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
SMILESCc1cccc(N2CC(CNC(=O)c3ccccc3C)OCC2=O)c1
InChIInChI=1S/C20H22N2O3/c1-14-6-5-8-16(10-14)22-12-17(25-13-19(22)23)11-21-20(24)18-9-4-3-7-15(18)2/h3-10,17H,11-13H2,1-2H3,(H,21,24)
InChIKeySBFBTHIOHJFIEU-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide
CID 110367930
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367475
2-methoxy-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367630
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367849
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367477
2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366991
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624
2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327764
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367545
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbenzamide
CID 16921022
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide (CID 110367084) is 2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide is Cc1cccc(N2CC(CNC(=O)c3ccccc3C)OCC2=O)c1.
What is the InChIKey of 2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
The InChIKey is SBFBTHIOHJFIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-6-5-8-16(10-14)22-12-17(25-13-19(22)23)11-21-20(24)18-9-4-3-7-15(18)2/h3-10,17H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 110367084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).