N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide

C18H19N3O5 — CID 23989229

IUPACN-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2c(C)cc(C)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-11-8-12(2)18(16(9-11)21(24)25)26-10-17(23)20-15-6-4-14(5-7-15)19-13(3)22/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyZLMAAARKYNMSME-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.19
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide

N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide (PubChem CID 23989229) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
PubChem CID23989229
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2c(C)cc(C)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-11-8-12(2)18(16(9-11)21(24)25)26-10-17(23)20-15-6-4-14(5-7-15)19-13(3)22/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyZLMAAARKYNMSME-UHFFFAOYSA-N
XLogP3.19
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
1-(2,4-dimethyl-6-nitrophenoxy)-3,3-dimethylbutan-2-one
CID 55021233
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
CID 4512787
N-(4-tert-butylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7913902
N-(4-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 877304
1-(2,4-dimethyl-6-nitrophenoxy)-3-methoxypropan-2-one
CID 107508134
2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 9212730
N-[4-(dimethylamino)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978164
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
CID 4512304
2-(2,4-dimethyl-6-nitrophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 1007487
N-(4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791138
2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 1406826

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide (CID 23989229) is N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide is CC(=O)Nc1ccc(NC(=O)COc2c(C)cc(C)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide?
The InChIKey is ZLMAAARKYNMSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-11-8-12(2)18(16(9-11)21(24)25)26-10-17(23)20-15-6-4-14(5-7-15)19-13(3)22/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide?
N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide has a molecular weight of 357.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide is sourced from PubChem (CID 23989229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).