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

C12H16N3O4+ — CID 3575843

IUPAC2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide
SMILESO=C(C[NH+]1CCOCC1)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)/p+1
InChIKeyGLCBWTFWQGOYQZ-UHFFFAOYSA-O
MW266.28 g/mol
LogP-0.55
Rot. Bonds4

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

2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide (PubChem CID 3575843) has the molecular formula C12H16N3O4+ and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide
PubChem CID3575843
Molecular FormulaC12H16N3O4+
Molecular Weight266.28 g/mol
Exact Mass266.11
IUPAC Name2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide
SMILESO=C(C[NH+]1CCOCC1)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)/p+1
InChIKeyGLCBWTFWQGOYQZ-UHFFFAOYSA-O
XLogP-0.55
TPSA85.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
CID 4069374
N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2082920
(2R)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate
CID 7166217
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide
CID 6978066
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
CID 7965625
2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 8590885
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide
CID 7371288
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide (CID 3575843) is 2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide is O=C(C[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide?
The InChIKey is GLCBWTFWQGOYQZ-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide?
2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide has a molecular weight of 266.28 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 3575843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).