2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide

C22H21NO3 — CID 2543985

IUPAC2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)COc1ccc(C(C)=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H21NO3/c1-3-23(21-10-6-8-18-7-4-5-9-20(18)21)22(25)15-26-19-13-11-17(12-14-19)16(2)24/h4-14H,3,15H2,1-2H3
InChIKeyDELCKSFTUYLTNF-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.47
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide

2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide (PubChem CID 2543985) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
PubChem CID2543985
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)COc1ccc(C(C)=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H21NO3/c1-3-23(21-10-6-8-18-7-4-5-9-20(18)21)22(25)15-26-19-13-11-17(12-14-19)16(2)24/h4-14H,3,15H2,1-2H3
InChIKeyDELCKSFTUYLTNF-UHFFFAOYSA-N
XLogP4.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide (CID 2543985) is 2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide is CCN(C(=O)COc1ccc(C(C)=O)cc1)c1cccc2ccccc12.
What is the InChIKey of 2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide?
The InChIKey is DELCKSFTUYLTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-3-23(21-10-6-8-18-7-4-5-9-20(18)21)22(25)15-26-19-13-11-17(12-14-19)16(2)24/h4-14H,3,15H2,1-2H3.
What are the key properties of 2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide?
2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide has a molecular weight of 347.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 2543985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).