2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide

C15H19N3O5 — CID 41281565

IUPAC2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O5/c1-3-17-6-7-23-15(20)13(17)9-14(19)16-11-5-4-10(2)12(8-11)18(21)22/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyBAHDTTRBGINTSK-ZDUSSCGKSA-N
MW321.33 g/mol
LogP1.48
Rot. Bonds5

About 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide

2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide (PubChem CID 41281565) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide
PubChem CID41281565
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O5/c1-3-17-6-7-23-15(20)13(17)9-14(19)16-11-5-4-10(2)12(8-11)18(21)22/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyBAHDTTRBGINTSK-ZDUSSCGKSA-N
XLogP1.48
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)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

ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate
CID 40566787
2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide
CID 44612078
2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41009155
2-(4-ethyl-2-oxomorpholin-3-yl)-N-(2-methylphenyl)acetamide
CID 44611957
N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 46801133
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-3-nitrophenyl)propanamide
CID 29201494
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 25299288
N-(4-methyl-3-nitrophenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 17121892
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 98587200
4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
CID 39753327
N-(4-methyl-3-nitrophenyl)-2-[(6S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875235
1-ethylsulfonyl-N-(4-methyl-3-nitrophenyl)piperidine-4-carboxamide
CID 18200116

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide (CID 41281565) is 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide is CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
The InChIKey is BAHDTTRBGINTSK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-3-17-6-7-23-15(20)13(17)9-14(19)16-11-5-4-10(2)12(8-11)18(21)22/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide?
2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide has a molecular weight of 321.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-(4-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 41281565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).