N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide

C19H21NO3 — CID 17360274

IUPACN-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C19H21NO3/c1-12-9-14(3)18(10-13(12)2)23-11-19(22)20-17-7-5-16(6-8-17)15(4)21/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyLLWVRHIRPUFQEA-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.83
Rot. Bonds5

About N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide

N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide (PubChem CID 17360274) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide
PubChem CID17360274
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C19H21NO3/c1-12-9-14(3)18(10-13(12)2)23-11-19(22)20-17-7-5-16(6-8-17)15(4)21/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyLLWVRHIRPUFQEA-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978105
N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1047129
N-[4-(4-acetylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112988234
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
[3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate
CID 17341793
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4901462
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771
N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 7721081
2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 30873439
N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18276979
2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7771685

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide (CID 17360274) is N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide is CC(=O)c1ccc(NC(=O)COc2cc(C)c(C)cc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide?
The InChIKey is LLWVRHIRPUFQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-9-14(3)18(10-13(12)2)23-11-19(22)20-17-7-5-16(6-8-17)15(4)21/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide?
N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 17360274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).