N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide

C17H19N3O3 — CID 26525537

IUPACN-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
SMILESCCc1ccccc1NC(=O)CNc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C17H19N3O3/c1-3-13-7-4-5-8-15(13)19-17(21)11-18-14-9-6-10-16(12(14)2)20(22)23/h4-10,18H,3,11H2,1-2H3,(H,19,21)
InChIKeyNPUHKVMGQTWEGU-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.52
Rot. Bonds6

About N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide

N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide (PubChem CID 26525537) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
PubChem CID26525537
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
SMILESCCc1ccccc1NC(=O)CNc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C17H19N3O3/c1-3-13-7-4-5-8-15(13)19-17(21)11-18-14-9-6-10-16(12(14)2)20(22)23/h4-10,18H,3,11H2,1-2H3,(H,19,21)
InChIKeyNPUHKVMGQTWEGU-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-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 51178521
2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26416516
N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102471
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349
4-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzamide
CID 37479645
N-ethyl-2-methyl-3-nitroaniline
CID 43425875
2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26507122
methyl 4-methyl-3-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzoate
CID 26525465
2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26525399
(2-methyl-3-nitrophenyl)urea
CID 22416531

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide (CID 26525537) is N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide is CCc1ccccc1NC(=O)CNc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide?
The InChIKey is NPUHKVMGQTWEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-13-7-4-5-8-15(13)19-17(21)11-18-14-9-6-10-16(12(14)2)20(22)23/h4-10,18H,3,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide?
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)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 N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide is sourced from PubChem (CID 26525537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).