N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide

C23H22N2O5 — CID 8700691

IUPACN-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide
SMILESCCN(C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O5/c1-3-24(18-7-5-4-6-8-18)23(26)16-30-22-14-11-19(25(27)28)15-21(22)17-9-12-20(29-2)13-10-17/h4-15H,3,16H2,1-2H3
InChIKeyYJVDQBQFRXTPTG-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.70
Rot. Bonds8

About N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide

N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide (PubChem CID 8700691) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide
PubChem CID8700691
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide
SMILESCCN(C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O5/c1-3-24(18-7-5-4-6-8-18)23(26)16-30-22-14-11-19(25(27)28)15-21(22)17-9-12-20(29-2)13-10-17/h4-15H,3,16H2,1-2H3
InChIKeyYJVDQBQFRXTPTG-UHFFFAOYSA-N
XLogP4.70
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8700775
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide
CID 7991292
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide
CID 7991213
[2-(4-methoxyphenyl)-4-nitrophenyl] hydrogen carbonate
CID 22133672
N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 8700662
1-(3,4-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7519463
1-(3-fluoro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7991333
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-1-(5-methylthiophen-2-yl)ethanone
CID 8700798
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(3-methylphenyl)acetamide
CID 7519396
N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
CID 41161693
N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 7519487

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide (CID 8700691) is N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide is CCN(C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide?
The InChIKey is YJVDQBQFRXTPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-3-24(18-7-5-4-6-8-18)23(26)16-30-22-14-11-19(25(27)28)15-21(22)17-9-12-20(29-2)13-10-17/h4-15H,3,16H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide?
N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide has a molecular weight of 406.44 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide is sourced from PubChem (CID 8700691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).