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

C21H24N2O3 — CID 110367703

IUPACN-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
SMILESCCc1ccc(N2CC(CNC(=O)c3ccc(C)cc3)OCC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-3-16-6-10-18(11-7-16)23-13-19(26-14-20(23)24)12-22-21(25)17-8-4-15(2)5-9-17/h4-11,19H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyCAURMCRVYQIXKF-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.72
Rot. Bonds5

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

N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide (PubChem CID 110367703) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
PubChem CID110367703
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
SMILESCCc1ccc(N2CC(CNC(=O)c3ccc(C)cc3)OCC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-3-16-6-10-18(11-7-16)23-13-19(26-14-20(23)24)12-22-21(25)17-8-4-15(2)5-9-17/h4-11,19H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyCAURMCRVYQIXKF-UHFFFAOYSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367743
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
CID 110367688
1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367747
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methoxybenzamide
CID 110367710
1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367243
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624
2-(4-ethoxyphenyl)-N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367721
4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367877
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide
CID 110367409
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367297
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide
CID 110367334

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide (CID 110367703) is N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide is CCc1ccc(N2CC(CNC(=O)c3ccc(C)cc3)OCC2=O)cc1.
What is the InChIKey of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide?
The InChIKey is CAURMCRVYQIXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-16-6-10-18(11-7-16)23-13-19(26-14-20(23)24)12-22-21(25)17-8-4-15(2)5-9-17/h4-11,19H,3,12-14H2,1-2H3,(H,22,25).
What are the key properties of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide?
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 110367703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).