N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide

C22H20N2O4 — CID 41161668

IUPACN-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O4/c25-22(16-28-20-13-11-19(12-14-20)24(26)27)23-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,23,25)
InChIKeyUOXRYMHAUOGSNJ-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.92
Rot. Bonds8

About N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide

N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 41161668) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
PubChem CID41161668
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O4/c25-22(16-28-20-13-11-19(12-14-20)24(26)27)23-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,23,25)
InChIKeyUOXRYMHAUOGSNJ-UHFFFAOYSA-N
XLogP3.92
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.92
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-methyl-3-[[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62675493
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 9012111
N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 52940822
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 8961201
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide (CID 41161668) is N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is UOXRYMHAUOGSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-22(16-28-20-13-11-19(12-14-20)24(26)27)23-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,23,25).
What are the key properties of N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide?
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 376.41 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 41161668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).