2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide

C19H22N2O4 — CID 4959294

IUPAC2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C19H22N2O4/c1-4-13(2)15-6-9-17(10-7-15)25-12-19(22)20-18-11-16(21(23)24)8-5-14(18)3/h5-11,13H,4,12H2,1-3H3,(H,20,22)
InChIKeyHJSCKDVYNCLTCD-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.43
Rot. Bonds7

About 2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide

2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 4959294) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID4959294
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C19H22N2O4/c1-4-13(2)15-6-9-17(10-7-15)25-12-19(22)20-18-11-16(21(23)24)8-5-14(18)3/h5-11,13H,4,12H2,1-3H3,(H,20,22)
InChIKeyHJSCKDVYNCLTCD-UHFFFAOYSA-N
XLogP4.43
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.43
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'}

Analyze 2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide 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

N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
2-(4-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089
2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
CID 19629255
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3-nitrophenyl)acetamide
CID 918526
methyl 4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7965140
N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176000
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865
N-(2-methyl-5-nitrophenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126251064
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17342416
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855424

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide (CID 4959294) is 2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide is CCC(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is HJSCKDVYNCLTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-13(2)15-6-9-17(10-7-15)25-12-19(22)20-18-11-16(21(23)24)8-5-14(18)3/h5-11,13H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 4959294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).