N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide

C21H24N2O3 — CID 110367930

IUPACN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide
SMILESCc1cc(C)cc(N2CC(CNC(=O)c3ccccc3C)OCC2=O)c1
InChIInChI=1S/C21H24N2O3/c1-14-8-15(2)10-17(9-14)23-12-18(26-13-20(23)24)11-22-21(25)19-7-5-4-6-16(19)3/h4-10,18H,11-13H2,1-3H3,(H,22,25)
InChIKeyFVUANLWFANENIZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.77
Rot. Bonds4

About N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide

N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide (PubChem CID 110367930) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide
PubChem CID110367930
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide
SMILESCc1cc(C)cc(N2CC(CNC(=O)c3ccccc3C)OCC2=O)c1
InChIInChI=1S/C21H24N2O3/c1-14-8-15(2)10-17(9-14)23-12-18(26-13-20(23)24)11-22-21(25)19-7-5-4-6-16(19)3/h4-10,18H,11-13H2,1-3H3,(H,22,25)
InChIKeyFVUANLWFANENIZ-UHFFFAOYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367084
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide
CID 110367951
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367849
2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366991
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide
CID 110367922
2-methoxy-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367630
1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367958
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367477
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
CID 110367994
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367475
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide (CID 110367930) is N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide is Cc1cc(C)cc(N2CC(CNC(=O)c3ccccc3C)OCC2=O)c1.
What is the InChIKey of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide?
The InChIKey is FVUANLWFANENIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-8-15(2)10-17(9-14)23-12-18(26-13-20(23)24)11-22-21(25)19-7-5-4-6-16(19)3/h4-10,18H,11-13H2,1-3H3,(H,22,25).
What are the key properties of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide?
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 110367930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).