2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide

C17H18N2O4 — CID 3389799

IUPAC2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C17H18N2O4/c1-3-13-4-7-15(8-5-13)23-11-17(20)18-16-9-6-14(19(21)22)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyWRQPAHKJAPTIOO-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.48
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide

2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide (PubChem CID 3389799) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
PubChem CID3389799
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C17H18N2O4/c1-3-13-4-7-15(8-5-13)23-11-17(20)18-16-9-6-14(19(21)22)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyWRQPAHKJAPTIOO-UHFFFAOYSA-N
XLogP3.48
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.48
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

N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 53268222
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide
CID 17102201
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844670
2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide
CID 17220959
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 18280294
methyl 4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7965140
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
2-(4-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide (CID 3389799) is 2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide is CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The InChIKey is WRQPAHKJAPTIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-13-4-7-15(8-5-13)23-11-17(20)18-16-9-6-14(19(21)22)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 3389799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).