2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide

C19H22N2O4 — CID 19173234

IUPAC2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C(C)(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N2O4/c1-13-9-10-15(16(11-13)21(23)24)20-18(22)12-25-17-8-6-5-7-14(17)19(2,3)4/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyHOYWEPUZJLLNBU-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.22
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide

2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 19173234) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID19173234
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C(C)(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N2O4/c1-13-9-10-15(16(11-13)21(23)24)20-18(22)12-25-17-8-6-5-7-14(17)19(2,3)4/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyHOYWEPUZJLLNBU-UHFFFAOYSA-N
XLogP4.22
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.22
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

2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide
CID 19173344
2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 17050900
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7500942
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 35588003

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide (CID 19173234) is 2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)COc2ccccc2C(C)(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is HOYWEPUZJLLNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-9-10-15(16(11-13)21(23)24)20-18(22)12-25-17-8-6-5-7-14(17)19(2,3)4/h5-11H,12H2,1-4H3,(H,20,22).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 19173234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).