2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide

C17H18N4O6 — CID 51160125

IUPAC2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N4O6/c1-3-19(11-17(22)18-13-6-4-5-7-16(13)27-2)14-9-8-12(20(23)24)10-15(14)21(25)26/h4-10H,3,11H2,1-2H3,(H,18,22)
InChIKeyOFURVMNZQQCGRJ-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.98
Rot. Bonds8

About 2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide

2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide (PubChem CID 51160125) has the molecular formula C17H18N4O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide
PubChem CID51160125
Molecular FormulaC17H18N4O6
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N4O6/c1-3-19(11-17(22)18-13-6-4-5-7-16(13)27-2)14-9-8-12(20(23)24)10-15(14)21(25)26/h4-10H,3,11H2,1-2H3,(H,18,22)
InChIKeyOFURVMNZQQCGRJ-UHFFFAOYSA-N
XLogP2.98
TPSA127.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)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-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide
CID 55346842
2-(N-ethyl-4-nitro-2-pyrrolidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 55346767
2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 55346728
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 7410350
[2-(2-methoxyanilino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate
CID 7262008
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
2-(N-ethyl-4-methylsulfonyl-2-nitroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4784930
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9196683
2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 17359269
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
CID 9104576

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide (CID 51160125) is 2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide?
The InChIKey is OFURVMNZQQCGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O6/c1-3-19(11-17(22)18-13-6-4-5-7-16(13)27-2)14-9-8-12(20(23)24)10-15(14)21(25)26/h4-10H,3,11H2,1-2H3,(H,18,22).
What are the key properties of 2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide?
2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide has a molecular weight of 374.35 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 51160125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).