N-(4-methylphenyl)-3-phenoxypropanamide

C16H17NO2 — CID 725622

IUPACN-(4-methylphenyl)-3-phenoxypropanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-13-7-9-14(10-8-13)17-16(18)11-12-19-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyZMSLZLKPSGBJOJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.40
Rot. Bonds5

About N-(4-methylphenyl)-3-phenoxypropanamide

N-(4-methylphenyl)-3-phenoxypropanamide (PubChem CID 725622) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-phenoxypropanamide
PubChem CID725622
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(4-methylphenyl)-3-phenoxypropanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-13-7-9-14(10-8-13)17-16(18)11-12-19-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyZMSLZLKPSGBJOJ-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-phenoxypropanamide?
The IUPAC name of N-(4-methylphenyl)-3-phenoxypropanamide (CID 725622) is N-(4-methylphenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(4-methylphenyl)-3-phenoxypropanamide is Cc1ccc(NC(=O)CCOc2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-phenoxypropanamide?
The InChIKey is ZMSLZLKPSGBJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13-7-9-14(10-8-13)17-16(18)11-12-19-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-(4-methylphenyl)-3-phenoxypropanamide?
N-(4-methylphenyl)-3-phenoxypropanamide has a molecular weight of 255.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-phenoxypropanamide is sourced from PubChem (CID 725622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).