N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide

C18H19NO3 — CID 2571527

IUPACN-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H19NO3/c1-12-4-5-13(2)17(10-12)18(21)11-22-16-8-6-15(7-9-16)19-14(3)20/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyXLJWHBNPXLZBOT-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.52
Rot. Bonds5

About N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide

N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 2571527) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide
PubChem CID2571527
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H19NO3/c1-12-4-5-13(2)17(10-12)18(21)11-22-16-8-6-15(7-9-16)19-14(3)20/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyXLJWHBNPXLZBOT-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide 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 N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide (CID 2571527) is N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is XLJWHBNPXLZBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-4-5-13(2)17(10-12)18(21)11-22-16-8-6-15(7-9-16)19-14(3)20/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide?
N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 297.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 2571527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).