2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide

C20H23NO3 — CID 17453100

IUPAC2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)NC(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)20(17-7-5-4-6-8-17)21-19(23)13-24-18-11-9-16(10-12-18)15(3)22/h4-12,14,20H,13H2,1-3H3,(H,21,23)
InChIKeyATSYTSULXUPKLE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.78
Rot. Bonds7

About 2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide

2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide (PubChem CID 17453100) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
PubChem CID17453100
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)NC(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)20(17-7-5-4-6-8-17)21-19(23)13-24-18-11-9-16(10-12-18)15(3)22/h4-12,14,20H,13H2,1-3H3,(H,21,23)
InChIKeyATSYTSULXUPKLE-UHFFFAOYSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050798
2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide
CID 86954296
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806377
methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 46637572
2-(2-hydroxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 78813413
2-(4-acetylphenoxy)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7763916
2-(2-ethoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050837
2-(2-methoxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51213896
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide (CID 17453100) is 2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide is CC(=O)c1ccc(OCC(=O)NC(c2ccccc2)C(C)C)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide?
The InChIKey is ATSYTSULXUPKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(2)20(17-7-5-4-6-8-17)21-19(23)13-24-18-11-9-16(10-12-18)15(3)22/h4-12,14,20H,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide?
2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide is sourced from PubChem (CID 17453100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).