N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide

C24H23NO3 — CID 985247

IUPACN-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-2-28-22-14-12-21(13-15-22)25-24(27)17-16-23(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyZWHRXJGGDSTLQG-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.35
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide

N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide (PubChem CID 985247) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
PubChem CID985247
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC NameN-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-2-28-22-14-12-21(13-15-22)25-24(27)17-16-23(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyZWHRXJGGDSTLQG-UHFFFAOYSA-N
XLogP5.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide (CID 985247) is N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide is CCOc1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The InChIKey is ZWHRXJGGDSTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-28-22-14-12-21(13-15-22)25-24(27)17-16-23(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,25,27).
What are the key properties of N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide has a molecular weight of 373.45 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 985247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).