N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C20H23NO3 — CID 7948552

IUPACN-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C20H23NO3/c1-13(2)16-10-9-14(3)11-19(16)24-12-20(23)21-18-8-6-5-7-17(18)15(4)22/h5-11,13H,12H2,1-4H3,(H,21,23)
InChIKeyAACVHOOZPLTSDN-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.34
Rot. Bonds6

About N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 7948552) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID7948552
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C20H23NO3/c1-13(2)16-10-9-14(3)11-19(16)24-12-20(23)21-18-8-6-5-7-17(18)15(4)22/h5-11,13H,12H2,1-4H3,(H,21,23)
InChIKeyAACVHOOZPLTSDN-UHFFFAOYSA-N
XLogP4.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 7948552) is N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is CC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C.
What is the InChIKey of N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is AACVHOOZPLTSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13(2)16-10-9-14(3)11-19(16)24-12-20(23)21-18-8-6-5-7-17(18)15(4)22/h5-11,13H,12H2,1-4H3,(H,21,23).
What are the key properties of N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 325.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 7948552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).