2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

C17H19N3O3 — CID 26416516

IUPAC2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1
InChIInChI=1S/C17H19N3O3/c1-11-7-8-14(12(2)9-11)18-10-17(21)19-15-5-4-6-16(13(15)3)20(22)23/h4-9,18H,10H2,1-3H3,(H,19,21)
InChIKeyXDFZEAFZRCCNII-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.57
Rot. Bonds5

About 2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 26416516) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID26416516
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1
InChIInChI=1S/C17H19N3O3/c1-11-7-8-14(12(2)9-11)18-10-17(21)19-15-5-4-6-16(13(15)3)20(22)23/h4-9,18H,10H2,1-3H3,(H,19,21)
InChIKeyXDFZEAFZRCCNII-UHFFFAOYSA-N
XLogP3.57
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26507122
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102471
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
methyl 4-methyl-3-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzoate
CID 26525465
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 51178521
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (CID 26416516) is 2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is Cc1ccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is XDFZEAFZRCCNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-7-8-14(12(2)9-11)18-10-17(21)19-15-5-4-6-16(13(15)3)20(22)23/h4-9,18H,10H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 26416516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).