2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C26H25N3O3 — CID 46788172

IUPAC2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(C)c1
InChIInChI=1S/C26H25N3O3/c1-17-12-18(2)26(19(3)13-17)29-24(30)15-28-25(31)16-32-23-10-8-22(9-11-23)21-6-4-20(14-27)5-7-21/h4-13H,15-16H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyPYQICEUBAXVIGH-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.28
Rot. Bonds7

About 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 46788172) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID46788172
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(C)c1
InChIInChI=1S/C26H25N3O3/c1-17-12-18(2)26(19(3)13-17)29-24(30)15-28-25(31)16-32-23-10-8-22(9-11-23)21-6-4-20(14-27)5-7-21/h4-13H,15-16H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyPYQICEUBAXVIGH-UHFFFAOYSA-N
XLogP4.28
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-phenoxyphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26080587
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide
CID 9019849
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 26218567
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575
N-(2,6-dimethylphenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 26904107
2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide
CID 4789874
2-[4-(4-cyanophenyl)phenoxy]-N-hexadecylacetamide
CID 3468682
N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide
CID 113227551

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 46788172) is 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(C)c1.
What is the InChIKey of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is PYQICEUBAXVIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17-12-18(2)26(19(3)13-17)29-24(30)15-28-25(31)16-32-23-10-8-22(9-11-23)21-6-4-20(14-27)5-7-21/h4-13H,15-16H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 427.50 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 46788172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).