2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide

C24H23NO3 — CID 112781539

IUPAC2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide
SMILESCC(=O)c1ccccc1OCC(=O)N(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-18(26)21-15-9-10-16-22(21)28-17-23(27)25(2)24(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,24H,17H2,1-2H3
InChIKeyCLKPHDDRVGMOMM-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.52
Rot. Bonds7

About 2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide

2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide (PubChem CID 112781539) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide
PubChem CID112781539
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide
SMILESCC(=O)c1ccccc1OCC(=O)N(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-18(26)21-15-9-10-16-22(21)28-17-23(27)25(2)24(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,24H,17H2,1-2H3
InChIKeyCLKPHDDRVGMOMM-UHFFFAOYSA-N
XLogP4.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide (CID 112781539) is 2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide is CC(=O)c1ccccc1OCC(=O)N(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide?
The InChIKey is CLKPHDDRVGMOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-18(26)21-15-9-10-16-22(21)28-17-23(27)25(2)24(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,24H,17H2,1-2H3.
What are the key properties of 2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide?
2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide has a molecular weight of 373.45 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide is sourced from PubChem (CID 112781539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).