N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide

C17H18N2O4 — CID 7865149

IUPACN-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide
SMILESCCc1cccc(C)c1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O4/c1-3-13-7-4-6-12(2)17(13)18-16(20)11-23-15-9-5-8-14(10-15)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyVBBLUMCSTWYYKR-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.48
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide

N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide (PubChem CID 7865149) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide
PubChem CID7865149
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide
SMILESCCc1cccc(C)c1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O4/c1-3-13-7-4-6-12(2)17(13)18-16(20)11-23-15-9-5-8-14(10-15)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20)
InChIKeyVBBLUMCSTWYYKR-UHFFFAOYSA-N
XLogP3.48
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
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-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 769435
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2700954
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648
N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865526
2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7979886
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19172373
ethyl 4-[[2-(3-nitrophenoxy)acetyl]amino]benzoate
CID 7865514
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2080510
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176000
N-(4-methylsulfanylphenyl)-2-(3-nitrophenoxy)acetamide
CID 51287734
N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide (CID 7865149) is N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide is CCc1cccc(C)c1NC(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide?
The InChIKey is VBBLUMCSTWYYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-13-7-4-6-12(2)17(13)18-16(20)11-23-15-9-5-8-14(10-15)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide has a molecular weight of 314.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 7865149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).