N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide

C12H15N3O4 — CID 9480592

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide
SMILESCN(C)C(=O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O4/c1-14(2)12(17)8-13-11(16)7-9-3-5-10(6-4-9)15(18)19/h3-6H,7-8H2,1-2H3,(H,13,16)
InChIKeyIYEZCRJPNKWZEH-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.34
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide

N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 9480592) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide
PubChem CID9480592
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide
SMILESCN(C)C(=O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O4/c1-14(2)12(17)8-13-11(16)7-9-3-5-10(6-4-9)15(18)19/h3-6H,7-8H2,1-2H3,(H,13,16)
InChIKeyIYEZCRJPNKWZEH-UHFFFAOYSA-N
XLogP0.34
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
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-(4-nitrophenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163121
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
2-(4-acetamidophenyl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9481055
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
2-(4-nitrophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26714074
N,N-dimethyl-2-[[N'-[(4-nitrophenyl)methyl]-N-propylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111777806
N,N-dimethyl-2-[[N-(2-methylpropyl)-N'-[(4-nitrophenyl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111777621
N,N-dimethyl-2-[[N'-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]carbamimidoyl]amino]acetamide
CID 136921301
N,N-dimethyl-2-[[N-[(4-nitrophenyl)methyl]-C-pyrrolidin-1-ylcarbonimidoyl]amino]acetamide
CID 111546449
N-(3-hydroxy-2-methylpropyl)-2-(4-nitrophenyl)acetamide
CID 65032219

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide (CID 9480592) is N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide is CN(C)C(=O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is IYEZCRJPNKWZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-14(2)12(17)8-13-11(16)7-9-3-5-10(6-4-9)15(18)19/h3-6H,7-8H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 265.27 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 9480592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).