N-(2,4-dimethylphenyl)-3-phenoxypropanamide

C17H19NO2 — CID 725623

IUPACN-(2,4-dimethylphenyl)-3-phenoxypropanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2)c(C)c1
InChIInChI=1S/C17H19NO2/c1-13-8-9-16(14(2)12-13)18-17(19)10-11-20-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyHHQIDSXSZWBSCQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.71
Rot. Bonds5

About N-(2,4-dimethylphenyl)-3-phenoxypropanamide

N-(2,4-dimethylphenyl)-3-phenoxypropanamide (PubChem CID 725623) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-phenoxypropanamide
PubChem CID725623
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(2,4-dimethylphenyl)-3-phenoxypropanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2)c(C)c1
InChIInChI=1S/C17H19NO2/c1-13-8-9-16(14(2)12-13)18-17(19)10-11-20-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyHHQIDSXSZWBSCQ-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,4-dimethylphenyl)-3-phenoxypropanamide 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-(2,4-dimethylphenyl)-3-phenoxypropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-phenoxypropanamide (CID 725623) is N-(2,4-dimethylphenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-phenoxypropanamide is Cc1ccc(NC(=O)CCOc2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-phenoxypropanamide?
The InChIKey is HHQIDSXSZWBSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-8-9-16(14(2)12-13)18-17(19)10-11-20-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(2,4-dimethylphenyl)-3-phenoxypropanamide?
N-(2,4-dimethylphenyl)-3-phenoxypropanamide has a molecular weight of 269.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-phenoxypropanamide is sourced from PubChem (CID 725623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).