N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide

C17H19N3O3 — CID 9081630

IUPACN-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H19N3O3/c1-11-7-8-14(20(22)23)9-15(11)18-10-16(21)19-17-12(2)5-4-6-13(17)3/h4-9,18H,10H2,1-3H3,(H,19,21)
InChIKeyUUWWVQYGRZKCML-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.57
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide

N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide (PubChem CID 9081630) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
PubChem CID9081630
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H19N3O3/c1-11-7-8-14(20(22)23)9-15(11)18-10-16(21)19-17-12(2)5-4-6-13(17)3/h4-9,18H,10H2,1-3H3,(H,19,21)
InChIKeyUUWWVQYGRZKCML-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-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813
N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 42026341
N-(3-methylbutan-2-yl)-2-(2-methyl-5-nitroanilino)acetamide
CID 47145443
2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 42070489
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
CID 9195708
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methyl-5-nitroanilino)acetamide
CID 9081598
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 24510725
2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
CID 9184491
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide (CID 9081630) is N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide is Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide?
The InChIKey is UUWWVQYGRZKCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-7-8-14(20(22)23)9-15(11)18-10-16(21)19-17-12(2)5-4-6-13(17)3/h4-9,18H,10H2,1-3H3,(H,19,21).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide?
N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)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 N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide is sourced from PubChem (CID 9081630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).