2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide

C17H18N2O4 — CID 3477288

IUPAC2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1
InChIInChI=1S/C17H18N2O4/c1-11-4-7-16(13(3)8-11)23-10-17(20)18-15-6-5-14(19(21)22)9-12(15)2/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyGIRUPBCZNBQLON-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.54
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide

2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide (PubChem CID 3477288) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
PubChem CID3477288
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1
InChIInChI=1S/C17H18N2O4/c1-11-4-7-16(13(3)8-11)23-10-17(20)18-15-6-5-14(19(21)22)9-12(15)2/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyGIRUPBCZNBQLON-UHFFFAOYSA-N
XLogP3.54
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.54
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-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19202538
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
CID 55733652
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406582
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342420
N-(2-hydroxy-5-nitrophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17342422
methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide (CID 3477288) is 2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The InChIKey is GIRUPBCZNBQLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-4-7-16(13(3)8-11)23-10-17(20)18-15-6-5-14(19(21)22)9-12(15)2/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 3477288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).