2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide

C17H19N3O4 — CID 30706268

IUPAC2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNc1c(C)cccc1C
InChIInChI=1S/C17H19N3O4/c1-11-5-4-6-12(2)17(11)18-10-16(21)19-14-8-7-13(20(22)23)9-15(14)24-3/h4-9,18H,10H2,1-3H3,(H,19,21)
InChIKeyBEPDJHWETGPTTQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.27
Rot. Bonds6

About 2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide

2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 30706268) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID30706268
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNc1c(C)cccc1C
InChIInChI=1S/C17H19N3O4/c1-11-5-4-6-12(2)17(11)18-10-16(21)19-14-8-7-13(20(22)23)9-15(14)24-3/h4-9,18H,10H2,1-3H3,(H,19,21)
InChIKeyBEPDJHWETGPTTQ-UHFFFAOYSA-N
XLogP3.27
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.27
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'}

Analyze 2-(2,6-dimethylanilino)-N-(2-methoxy-4-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

2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 4792980
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 17382753
2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 134008031
N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 9081630
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 37231406
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide (CID 30706268) is 2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is BEPDJHWETGPTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-5-4-6-12(2)17(11)18-10-16(21)19-14-8-7-13(20(22)23)9-15(14)24-3/h4-9,18H,10H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 30706268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).