2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide

C14H17N3O5 — CID 3148412

IUPAC2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide
SMILESCCN1CCOC(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C14H17N3O5/c1-2-16-7-8-22-12(14(16)19)9-13(18)15-10-3-5-11(6-4-10)17(20)21/h3-6,12H,2,7-9H2,1H3,(H,15,18)
InChIKeyIBDYZGWSYUTBNP-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.17
Rot. Bonds5

About 2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide

2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 3148412) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide
PubChem CID3148412
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide
SMILESCCN1CCOC(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C14H17N3O5/c1-2-16-7-8-22-12(14(16)19)9-13(18)15-10-3-5-11(6-4-10)17(20)21/h3-6,12H,2,7-9H2,1H3,(H,15,18)
InChIKeyIBDYZGWSYUTBNP-UHFFFAOYSA-N
XLogP1.17
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide (CID 3148412) is 2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide is CCN1CCOC(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is IBDYZGWSYUTBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-2-16-7-8-22-12(14(16)19)9-13(18)15-10-3-5-11(6-4-10)17(20)21/h3-6,12H,2,7-9H2,1H3,(H,15,18).
What are the key properties of 2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide?
2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 307.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-oxomorpholin-2-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3148412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).