N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide

C23H21NO3 — CID 1020136

IUPACN-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c1-16-7-6-8-17(2)23(16)27-15-21(25)24-20-13-11-19(12-14-20)22(26)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyXVJFOUVNJRFVOW-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.55
Rot. Bonds6

About N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide

N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 1020136) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID1020136
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC NameN-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c1-16-7-6-8-17(2)23(16)27-15-21(25)24-20-13-11-19(12-14-20)22(26)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyXVJFOUVNJRFVOW-UHFFFAOYSA-N
XLogP4.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
2-(2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 835384
4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1298155
2-(4-benzoylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 7717850
2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239214
2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130083
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 97179244
2-(2,6-dimethylphenoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55474451
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949731
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide (CID 1020136) is N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is XVJFOUVNJRFVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-16-7-6-8-17(2)23(16)27-15-21(25)24-20-13-11-19(12-14-20)22(26)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,24,25).
What are the key properties of N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide?
N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 359.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 1020136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).