2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide

C24H23NO3 — CID 8894979

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-18(26)20-13-14-23(28-2)21(15-20)16-24(27)25(22-11-7-4-8-12-22)17-19-9-5-3-6-10-19/h3-15H,16-17H2,1-2H3
InChIKeyJHLJRSNPQYISNT-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.67
Rot. Bonds7

About 2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide

2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide (PubChem CID 8894979) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide
PubChem CID8894979
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-18(26)20-13-14-23(28-2)21(15-20)16-24(27)25(22-11-7-4-8-12-22)17-19-9-5-3-6-10-19/h3-15H,16-17H2,1-2H3
InChIKeyJHLJRSNPQYISNT-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide (CID 8894979) is 2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide is COc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide?
The InChIKey is JHLJRSNPQYISNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-18(26)20-13-14-23(28-2)21(15-20)16-24(27)25(22-11-7-4-8-12-22)17-19-9-5-3-6-10-19/h3-15H,16-17H2,1-2H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide?
2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide has a molecular weight of 373.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide is sourced from PubChem (CID 8894979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).