2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide

C26H28N2O4 — CID 22217279

IUPAC2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)COc1ccccc1OCC(=O)N(CC)c1ccccc1
InChIInChI=1S/C26H28N2O4/c1-3-20-12-8-9-15-22(20)27-25(29)18-31-23-16-10-11-17-24(23)32-19-26(30)28(4-2)21-13-6-5-7-14-21/h5-17H,3-4,18-19H2,1-2H3,(H,27,29)
InChIKeyKOFUHEKZVNEXSA-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.70
Rot. Bonds10

About 2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide

2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide (PubChem CID 22217279) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide
PubChem CID22217279
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)COc1ccccc1OCC(=O)N(CC)c1ccccc1
InChIInChI=1S/C26H28N2O4/c1-3-20-12-8-9-15-22(20)27-25(29)18-31-23-16-10-11-17-24(23)32-19-26(30)28(4-2)21-13-6-5-7-14-21/h5-17H,3-4,18-19H2,1-2H3,(H,27,29)
InChIKeyKOFUHEKZVNEXSA-UHFFFAOYSA-N
XLogP4.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide (CID 22217279) is 2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)COc1ccccc1OCC(=O)N(CC)c1ccccc1.
What is the InChIKey of 2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide?
The InChIKey is KOFUHEKZVNEXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-3-20-12-8-9-15-22(20)27-25(29)18-31-23-16-10-11-17-24(23)32-19-26(30)28(4-2)21-13-6-5-7-14-21/h5-17H,3-4,18-19H2,1-2H3,(H,27,29).
What are the key properties of 2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide?
2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide has a molecular weight of 432.52 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(N-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 22217279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).