2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide

C17H19N3O4 — CID 9081065

IUPAC2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C)cc1C
InChIInChI=1S/C17H19N3O4/c1-11-4-6-14(12(2)8-11)18-10-17(21)19-15-9-13(20(22)23)5-7-16(15)24-3/h4-9,18H,10H2,1-3H3,(H,19,21)
InChIKeyQVAIAAHLBMSNIP-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.27
Rot. Bonds6

About 2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 9081065) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID9081065
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C)cc1C
InChIInChI=1S/C17H19N3O4/c1-11-4-6-14(12(2)8-11)18-10-17(21)19-15-9-13(20(22)23)5-7-16(15)24-3/h4-9,18H,10H2,1-3H3,(H,19,21)
InChIKeyQVAIAAHLBMSNIP-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'}

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Related Compounds

2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7535590
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079826
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
N-(2-methoxy-5-nitrophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468662
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 9081065) is 2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is QVAIAAHLBMSNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-4-6-14(12(2)8-11)18-10-17(21)19-15-9-13(20(22)23)5-7-16(15)24-3/h4-9,18H,10H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(2,4-dimethylanilino)-N-(2-methoxy-5-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-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 9081065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).