2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide

C23H23NO3 — CID 43886755

IUPAC2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
SMILESCCc1ccccc1OC(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO3/c1-3-18-9-7-8-12-22(18)26-17(2)23(25)24-19-13-15-21(16-14-19)27-20-10-5-4-6-11-20/h4-17H,3H2,1-2H3,(H,24,25)
InChIKeyLGFFAKOBETUFFM-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.45
Rot. Bonds7

About 2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide

2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide (PubChem CID 43886755) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
PubChem CID43886755
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
SMILESCCc1ccccc1OC(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO3/c1-3-18-9-7-8-12-22(18)26-17(2)23(25)24-19-13-15-21(16-14-19)27-20-10-5-4-6-11-20/h4-17H,3H2,1-2H3,(H,24,25)
InChIKeyLGFFAKOBETUFFM-UHFFFAOYSA-N
XLogP5.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide (CID 43886755) is 2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide is CCc1ccccc1OC(C)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is LGFFAKOBETUFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-3-18-9-7-8-12-22(18)26-17(2)23(25)24-19-13-15-21(16-14-19)27-20-10-5-4-6-11-20/h4-17H,3H2,1-2H3,(H,24,25).
What are the key properties of 2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide?
2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 361.44 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 43886755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).