2-morpholin-4-yl-N-(3-nitrophenyl)acetamide

C12H15N3O4 — CID 687269

IUPAC2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
SMILESO=C(CN1CCOCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c16-12(9-14-4-6-19-7-5-14)13-10-2-1-3-11(8-10)15(17)18/h1-3,8H,4-7,9H2,(H,13,16)
InChIKeyGLCBWTFWQGOYQZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.87
Rot. Bonds4

About 2-morpholin-4-yl-N-(3-nitrophenyl)acetamide

2-morpholin-4-yl-N-(3-nitrophenyl)acetamide (PubChem CID 687269) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
PubChem CID687269
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
SMILESO=C(CN1CCOCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c16-12(9-14-4-6-19-7-5-14)13-10-2-1-3-11(8-10)15(17)18/h1-3,8H,4-7,9H2,(H,13,16)
InChIKeyGLCBWTFWQGOYQZ-UHFFFAOYSA-N
XLogP0.87
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.87
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-morpholin-4-yl-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-morpholin-4-yl-N-(3-nitrophenyl)acetamide (CID 687269) is 2-morpholin-4-yl-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-(3-nitrophenyl)acetamide is O=C(CN1CCOCC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-morpholin-4-yl-N-(3-nitrophenyl)acetamide?
The InChIKey is GLCBWTFWQGOYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-12(9-14-4-6-19-7-5-14)13-10-2-1-3-11(8-10)15(17)18/h1-3,8H,4-7,9H2,(H,13,16).
What are the key properties of 2-morpholin-4-yl-N-(3-nitrophenyl)acetamide?
2-morpholin-4-yl-N-(3-nitrophenyl)acetamide has a molecular weight of 265.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 687269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).