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

C28H25NO4 — CID 18870478

IUPAC2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
SMILESCc1cc(C)cc(Oc2ccc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C28H25NO4/c1-20-16-21(2)18-27(17-20)33-26-14-12-23(13-15-26)31-19-28(30)29-22-8-10-25(11-9-22)32-24-6-4-3-5-7-24/h3-18H,19H2,1-2H3,(H,29,30)
InChIKeyUYQXQJBCJXVUNP-UHFFFAOYSA-N
MW439.51 g/mol
LogP6.91
Rot. Bonds8

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

2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide (PubChem CID 18870478) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
PubChem CID18870478
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC Name2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
SMILESCc1cc(C)cc(Oc2ccc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C28H25NO4/c1-20-16-21(2)18-27(17-20)33-26-14-12-23(13-15-26)31-19-28(30)29-22-8-10-25(11-9-22)32-24-6-4-3-5-7-24/h3-18H,19H2,1-2H3,(H,29,30)
InChIKeyUYQXQJBCJXVUNP-UHFFFAOYSA-N
XLogP6.91
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 18870428
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 23904816
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470
N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870439
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235341
2-(3-ethoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 112977837
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide (CID 18870478) is 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide is Cc1cc(C)cc(Oc2ccc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is UYQXQJBCJXVUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO4/c1-20-16-21(2)18-27(17-20)33-26-14-12-23(13-15-26)31-19-28(30)29-22-8-10-25(11-9-22)32-24-6-4-3-5-7-24/h3-18H,19H2,1-2H3,(H,29,30).
What are the key properties of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide?
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 439.51 g/mol, XLogP of 6.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 18870478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).