2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide

C18H26N2O3 — CID 53245111

IUPAC2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(C)c1
InChIInChI=1S/C18H26N2O3/c1-5-20-12-18(3,4)23-17(22)15(20)10-16(21)19-11-14-8-6-7-13(2)9-14/h6-9,15H,5,10-12H2,1-4H3,(H,19,21)
InChIKeyDVALFPLRBAATQQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.03
Rot. Bonds5

About 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide

2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 53245111) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID53245111
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(C)c1
InChIInChI=1S/C18H26N2O3/c1-5-20-12-18(3,4)23-17(22)15(20)10-16(21)19-11-14-8-6-7-13(2)9-14/h6-9,15H,5,10-12H2,1-4H3,(H,19,21)
InChIKeyDVALFPLRBAATQQ-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide 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

2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-((3-(trifluoromethyl)phenyl)methyl)acetamide
CID 53245170
methyl N-[(1-benzylpiperidin-4-yl)carbamoyl]-L-valinate
CID 664811
N-(biphenyl-3-ylmethyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245238
Ethyl 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetate
CID 2997331
Propyl [1-(4-fluorobenzyl)-3-oxopiperazin-2-yl]acetate
CID 4777785
Propyl [1-(2-methylbenzyl)-3-oxopiperazin-2-yl]acetate
CID 4777789
N-(4-Chlorobenzyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53244723
N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53244782
2-(4-Ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-phenethylacetamide
CID 53244846
N-(3-Chlorobenzyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245044
N-(2-Chlorobenzyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245105
Asparagine, N(sup 2)-benzyl-N,N-diethyl-, DL-
CID 33174

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide (CID 53245111) is 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(C)c1.
What is the InChIKey of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is DVALFPLRBAATQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-5-20-12-18(3,4)23-17(22)15(20)10-16(21)19-11-14-8-6-7-13(2)9-14/h6-9,15H,5,10-12H2,1-4H3,(H,19,21).
What are the key properties of 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide?
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53245111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).