2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide

C17H16N2O5 — CID 7859185

IUPAC2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCC(=O)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C17H16N2O5/c1-11-7-8-13(19(22)23)9-15(11)18-17(21)10-24-16-6-4-3-5-14(16)12(2)20/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyZPAPFINPZYYUGM-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.12
Rot. Bonds6

About 2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide

2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 7859185) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID7859185
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCC(=O)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C17H16N2O5/c1-11-7-8-13(19(22)23)9-15(11)18-17(21)10-24-16-6-4-3-5-14(16)12(2)20/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyZPAPFINPZYYUGM-UHFFFAOYSA-N
XLogP3.12
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.12
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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Related Compounds

methyl 2-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7763962
2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide
CID 34795494
2-(2-acetylphenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7859322
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-nitrobenzoate
CID 7864340
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4141908
2-(4-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856573
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide (CID 7859185) is 2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide is CC(=O)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is ZPAPFINPZYYUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-11-7-8-13(19(22)23)9-15(11)18-17(21)10-24-16-6-4-3-5-14(16)12(2)20/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of 2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 328.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 7859185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).