2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide

C13H16N2O5 — CID 116541587

IUPAC2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide
SMILESCC(=O)c1cc([N+](=O)[O-])ccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C13H16N2O5/c1-8(16)11-7-10(15(18)19)5-6-12(11)20-9(2)13(17)14(3)4/h5-7,9H,1-4H3
InChIKeyGUPCFVIJTZFPIM-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide

2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide (PubChem CID 116541587) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide
PubChem CID116541587
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide
SMILESCC(=O)c1cc([N+](=O)[O-])ccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C13H16N2O5/c1-8(16)11-7-10(15(18)19)5-6-12(11)20-9(2)13(17)14(3)4/h5-7,9H,1-4H3
InChIKeyGUPCFVIJTZFPIM-UHFFFAOYSA-N
XLogP1.65
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
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'}

Analyze 2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N,N-dimethylpropanamide
CID 116542020
2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide
CID 103013438
2-(2-acetyl-4-nitrophenoxy)propanenitrile
CID 116541633
O-(2-acetyl-4-nitrophenyl) N,N-dimethylcarbamothioate
CID 72735076
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389
2-(1-amino-1-oxopropan-2-yl)oxy-5-nitrobenzoic acid
CID 43472842
2-(2-acetyl-4-nitrophenoxy)pentanoic acid
CID 116541638
4-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid
CID 43216805
N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
CID 43277702
1-[2-(2-methoxyethoxy)-5-nitrophenyl]ethanone
CID 62872855
2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide
CID 55148420
1-(2-methylsulfanyl-5-nitrophenyl)ethanone
CID 607341

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide (CID 116541587) is 2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide is CC(=O)c1cc([N+](=O)[O-])ccc1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide?
The InChIKey is GUPCFVIJTZFPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8(16)11-7-10(15(18)19)5-6-12(11)20-9(2)13(17)14(3)4/h5-7,9H,1-4H3.
What are the key properties of 2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide?
2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide has a molecular weight of 280.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 116541587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).