N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide

C10H12N2O4 — CID 2054852

IUPACN-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCO
InChIInChI=1S/C10H12N2O4/c13-6-5-11-10(14)7-8-1-3-9(4-2-8)12(15)16/h1-4,13H,5-7H2,(H,11,14)
InChIKeyLOSCMMWJDXQNCG-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.25
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide

N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide (PubChem CID 2054852) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
PubChem CID2054852
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCO
InChIInChI=1S/C10H12N2O4/c13-6-5-11-10(14)7-8-1-3-9(4-2-8)12(15)16/h1-4,13H,5-7H2,(H,11,14)
InChIKeyLOSCMMWJDXQNCG-UHFFFAOYSA-N
XLogP0.25
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.25
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

N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
2-(4-nitrophenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163121
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
N-(3-hydroxy-2-methylpropyl)-2-(4-nitrophenyl)acetamide
CID 65032219
N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 90558308
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
potassium 2-(4-nitrophenyl)acetate
CID 15261201
N-(2-hydroxyethyl)-4-(4-nitroanilino)butanamide
CID 78816797
(4-nitrophenyl) [4-[2-oxo-2-(propylamino)ethyl]phenyl] carbonate
CID 102331178
2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride
CID 119778289

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide (CID 2054852) is N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is LOSCMMWJDXQNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-6-5-11-10(14)7-8-1-3-9(4-2-8)12(15)16/h1-4,13H,5-7H2,(H,11,14).
What are the key properties of N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide?
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 224.22 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 2054852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).