2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide

C23H22N2O4 — CID 27143091

IUPAC2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1
InChIInChI=1S/C23H22N2O4/c1-2-18-10-6-7-11-21(18)24-23(26)16-29-22-13-12-20(25(27)28)15-19(22)14-17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3,(H,24,26)
InChIKeyCAAFVFSHCKUNIV-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.77
Rot. Bonds8

About 2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide

2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide (PubChem CID 27143091) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide
PubChem CID27143091
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1
InChIInChI=1S/C23H22N2O4/c1-2-18-10-6-7-11-21(18)24-23(26)16-29-22-13-12-20(25(27)28)15-19(22)14-17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3,(H,24,26)
InChIKeyCAAFVFSHCKUNIV-UHFFFAOYSA-N
XLogP4.77
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.77
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-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 27142980
2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 38134685
N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7577886
N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47073931
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899
N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 9450716
2-(2-benzyl-4-nitrophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 27143021
N-(2-benzylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31895274
2-(benzylamino)-N-(2-ethylphenyl)-5-nitrobenzamide
CID 8839306
2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 42070489
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(2-ethylphenyl)acetamide
CID 126279616
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide (CID 27143091) is 2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide?
The InChIKey is CAAFVFSHCKUNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-2-18-10-6-7-11-21(18)24-23(26)16-29-22-13-12-20(25(27)28)15-19(22)14-17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3,(H,24,26).
What are the key properties of 2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide?
2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 27143091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).