2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

C17H19N3O3 — CID 51178521

IUPAC2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCCc1ccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C17H19N3O3/c1-3-13-7-9-14(10-8-13)18-11-17(21)19-15-5-4-6-16(12(15)2)20(22)23/h4-10,18H,3,11H2,1-2H3,(H,19,21)
InChIKeyKYGSSXHMOASDPP-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.52
Rot. Bonds6

About 2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 51178521) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID51178521
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCCc1ccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C17H19N3O3/c1-3-13-7-9-14(10-8-13)18-11-17(21)19-15-5-4-6-16(12(15)2)20(22)23/h4-10,18H,3,11H2,1-2H3,(H,19,21)
InChIKeyKYGSSXHMOASDPP-UHFFFAOYSA-N
XLogP3.52
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.52
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-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 55544484
2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26416516
4-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzamide
CID 37479645
2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26507122
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
N-(2-methyl-3-nitrophenyl)-2-propylsulfonylacetamide
CID 47379973
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
(2-methyl-3-nitrophenyl)urea
CID 22416531

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (CID 51178521) is 2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is CCc1ccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is KYGSSXHMOASDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-13-7-9-14(10-8-13)18-11-17(21)19-15-5-4-6-16(12(15)2)20(22)23/h4-10,18H,3,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 51178521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).