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

C21H24N2O4 — CID 110367217

IUPACN-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide
SMILESCc1ccc(N2CC(CNC(=O)CCOc3ccccc3)OCC2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-16-7-9-17(10-8-16)23-14-19(27-15-21(23)25)13-22-20(24)11-12-26-18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H,22,24)
InChIKeyCISSBQIEOMDQGF-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.31
Rot. Bonds7

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

N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide (PubChem CID 110367217) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide
PubChem CID110367217
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide
SMILESCc1ccc(N2CC(CNC(=O)CCOc3ccccc3)OCC2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-16-7-9-17(10-8-16)23-14-19(27-15-21(23)25)13-22-20(24)11-12-26-18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H,22,24)
InChIKeyCISSBQIEOMDQGF-UHFFFAOYSA-N
XLogP2.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide
CID 110710104
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide
CID 110367951
1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367243
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
CID 110367688
2-(4-ethoxyphenyl)-N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367721
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367703
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide
CID 110367052
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367545

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide?
The IUPAC name of N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide (CID 110367217) is N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide is Cc1ccc(N2CC(CNC(=O)CCOc3ccccc3)OCC2=O)cc1.
What is the InChIKey of N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide?
The InChIKey is CISSBQIEOMDQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16-7-9-17(10-8-16)23-14-19(27-15-21(23)25)13-22-20(24)11-12-26-18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H,22,24).
What are the key properties of N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide?
N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide has a molecular weight of 368.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide is sourced from PubChem (CID 110367217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).