2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide

C23H22N2O6 — CID 18870453

IUPAC2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Oc3cc(C)cc(C)c3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H22N2O6/c1-15-10-16(2)12-20(11-15)31-18-6-4-17(5-7-18)30-14-23(26)24-21-9-8-19(29-3)13-22(21)25(27)28/h4-13H,14H2,1-3H3,(H,24,26)
InChIKeyZZPDBWPLBIIYCS-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.03
Rot. Bonds8

About 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide

2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 18870453) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID18870453
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Oc3cc(C)cc(C)c3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H22N2O6/c1-15-10-16(2)12-20(11-15)31-18-6-4-17(5-7-18)30-14-23(26)24-21-9-8-19(29-3)13-22(21)25(27)28/h4-13H,14H2,1-3H3,(H,24,26)
InChIKeyZZPDBWPLBIIYCS-UHFFFAOYSA-N
XLogP5.03
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2935158
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 18870428
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
CID 18870365
N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827015
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7568555
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
N-(4-methoxy-2-nitrophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108807672

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 18870453) is 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)COc2ccc(Oc3cc(C)cc(C)c3)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is ZZPDBWPLBIIYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-15-10-16(2)12-20(11-15)31-18-6-4-17(5-7-18)30-14-23(26)24-21-9-8-19(29-3)13-22(21)25(27)28/h4-13H,14H2,1-3H3,(H,24,26).
What are the key properties of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 422.44 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 18870453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).