2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide

C19H21NO3 — CID 7859306

IUPAC2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)c1ccccc1OCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H21NO3/c1-13(2)15-8-10-16(11-9-15)20-19(22)12-23-18-7-5-4-6-17(18)14(3)21/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyZAOYFQHJAHCBRD-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.03
Rot. Bonds6

About 2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide

2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 7859306) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID7859306
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)c1ccccc1OCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H21NO3/c1-13(2)15-8-10-16(11-9-15)20-19(22)12-23-18-7-5-4-6-17(18)14(3)21/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyZAOYFQHJAHCBRD-UHFFFAOYSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide (CID 7859306) is 2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide is CC(=O)c1ccccc1OCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is ZAOYFQHJAHCBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(2)15-8-10-16(11-9-15)20-19(22)12-23-18-7-5-4-6-17(18)14(3)21/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide?
2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 7859306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).