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

C22H26N2O3 — CID 110367951

IUPACN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide
SMILESCc1cc(C)cc(N2CC(CNC(=O)CCc3ccccc3)OCC2=O)c1
InChIInChI=1S/C22H26N2O3/c1-16-10-17(2)12-19(11-16)24-14-20(27-15-22(24)26)13-23-21(25)9-8-18-6-4-3-5-7-18/h3-7,10-12,20H,8-9,13-15H2,1-2H3,(H,23,25)
InChIKeySGDANIIJMOOYLI-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.78
Rot. Bonds6

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

N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide (PubChem CID 110367951) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide
PubChem CID110367951
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide
SMILESCc1cc(C)cc(N2CC(CNC(=O)CCc3ccccc3)OCC2=O)c1
InChIInChI=1S/C22H26N2O3/c1-16-10-17(2)12-19(11-16)24-14-20(27-15-22(24)26)13-23-21(25)9-8-18-6-4-3-5-7-18/h3-7,10-12,20H,8-9,13-15H2,1-2H3,(H,23,25)
InChIKeySGDANIIJMOOYLI-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.78
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
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
CID 110367994
N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide
CID 110367217
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide
CID 110367922
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110328128
1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367958
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
CID 110367688
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367084
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110367863
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 110367989

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide (CID 110367951) is N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide is Cc1cc(C)cc(N2CC(CNC(=O)CCc3ccccc3)OCC2=O)c1.
What is the InChIKey of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide?
The InChIKey is SGDANIIJMOOYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-10-17(2)12-19(11-16)24-14-20(27-15-22(24)26)13-23-21(25)9-8-18-6-4-3-5-7-18/h3-7,10-12,20H,8-9,13-15H2,1-2H3,(H,23,25).
What are the key properties of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide?
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide has a molecular weight of 366.46 g/mol, XLogP of 2.78, 6 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]-3-phenylpropanamide is sourced from PubChem (CID 110367951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).