N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide

C17H16N2O5 — CID 8559480

IUPACN-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H16N2O5/c1-11-3-8-16(15(9-11)19(22)23)24-10-17(21)18-14-6-4-13(5-7-14)12(2)20/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyOIMCGWHRGFKQOZ-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.12
Rot. Bonds6

About N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide

N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 8559480) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID8559480
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H16N2O5/c1-11-3-8-16(15(9-11)19(22)23)24-10-17(21)18-14-6-4-13(5-7-14)12(2)20/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyOIMCGWHRGFKQOZ-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'}

Analyze N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)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

propan-2-yl 4-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoate
CID 8564217
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8560082
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
CID 23989229
2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 24534004
methyl 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-nitrobenzoate
CID 30122444
N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide
CID 17359066
2-(4-chloro-2-nitrophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7991036
2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741
N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578425
N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17360274

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide (CID 8559480) is N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide is CC(=O)c1ccc(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is OIMCGWHRGFKQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-11-3-8-16(15(9-11)19(22)23)24-10-17(21)18-14-6-4-13(5-7-14)12(2)20/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)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 N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 8559480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).