N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide

C17H18N2O3 — CID 4548648

IUPACN-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O3/c1-3-14-6-4-5-12(2)17(14)18-16(20)11-13-7-9-15(10-8-13)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyNRGVIKWWCOCMLS-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.65
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide

N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide (PubChem CID 4548648) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
PubChem CID4548648
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O3/c1-3-14-6-4-5-12(2)17(14)18-16(20)11-13-7-9-15(10-8-13)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyNRGVIKWWCOCMLS-UHFFFAOYSA-N
XLogP3.65
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 2553207
N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108512016
N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865149
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2700954
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
CID 796499
N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26880535
N-(2,6-dimethylphenyl)-2-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-yl]acetamide
CID 9021521
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8632294
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
5-(2-ethyl-6-methylanilino)-5-oxopentanoate
CID 4740094
2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
CID 31868499

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide (CID 4548648) is N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide is CCc1cccc(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is NRGVIKWWCOCMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-14-6-4-5-12(2)17(14)18-16(20)11-13-7-9-15(10-8-13)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 4548648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).