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

C15H19N3O5 — CID 41475014

IUPAC2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C15H19N3O5/c1-3-17-6-7-23-15(20)13(17)9-14(19)16-12-5-4-11(18(21)22)8-10(12)2/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyQGTRUYNTUIAKCS-CYBMUJFWSA-N
MW321.33 g/mol
LogP1.48
Rot. Bonds5

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

2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide (PubChem CID 41475014) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide
PubChem CID41475014
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C15H19N3O5/c1-3-17-6-7-23-15(20)13(17)9-14(19)16-12-5-4-11(18(21)22)8-10(12)2/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyQGTRUYNTUIAKCS-CYBMUJFWSA-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'}

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Related Compounds

2-(4-ethyl-2-oxomorpholin-3-yl)-N-(2-methylphenyl)acetamide
CID 44611957
2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 95899812
ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate
CID 40566787
2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41009155
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 110921497
3-[4-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 111113845
methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711560
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
2-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 18555234
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide (CID 41475014) is 2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide is CCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of 2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide?
The InChIKey is QGTRUYNTUIAKCS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-3-17-6-7-23-15(20)13(17)9-14(19)16-12-5-4-11(18(21)22)8-10(12)2/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,16,19)/t13-/m1/s1.
What are the key properties of 2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide?
2-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-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-[(3R)-4-ethyl-2-oxomorpholin-3-yl]-N-(2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 41475014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).