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

C20H22N2O4 — CID 110367545

IUPACN-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
SMILESCOc1ccc(N2CC(CNC(=O)c3cccc(C)c3)OCC2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-14-4-3-5-15(10-14)20(24)21-11-18-12-22(19(23)13-26-18)16-6-8-17(25-2)9-7-16/h3-10,18H,11-13H2,1-2H3,(H,21,24)
InChIKeyGOYNPWOKMNNFBH-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.17
Rot. Bonds5

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

N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide (PubChem CID 110367545) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
PubChem CID110367545
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
SMILESCOc1ccc(N2CC(CNC(=O)c3cccc(C)c3)OCC2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-14-4-3-5-15(10-14)20(24)21-11-18-12-22(19(23)13-26-18)16-6-8-17(25-2)9-7-16/h3-10,18H,11-13H2,1-2H3,(H,21,24)
InChIKeyGOYNPWOKMNNFBH-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methoxybenzamide
CID 110367710
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
3-chloro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367650
3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367657
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,4-dimethoxybenzamide
CID 110367860
2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367084
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367297
ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367661
2-methoxy-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367630
4-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide
CID 110710086

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide (CID 110367545) is N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide is COc1ccc(N2CC(CNC(=O)c3cccc(C)c3)OCC2=O)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide?
The InChIKey is GOYNPWOKMNNFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-4-3-5-15(10-14)20(24)21-11-18-12-22(19(23)13-26-18)16-6-8-17(25-2)9-7-16/h3-10,18H,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide?
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide is sourced from PubChem (CID 110367545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).