2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide

C23H23NO4 — CID 112977838

IUPAC2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCOc1cccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H23NO4/c1-2-26-21-9-6-10-22(15-21)28-17-23(25)24-19-11-13-20(14-12-19)27-16-18-7-4-3-5-8-18/h3-15H,2,16-17H2,1H3,(H,24,25)
InChIKeyOZGDUBPRNZZRAK-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.68
Rot. Bonds9

About 2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide

2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 112977838) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID112977838
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCOc1cccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H23NO4/c1-2-26-21-9-6-10-22(15-21)28-17-23(25)24-19-11-13-20(14-12-19)27-16-18-7-4-3-5-8-18/h3-15H,2,16-17H2,1H3,(H,24,25)
InChIKeyOZGDUBPRNZZRAK-UHFFFAOYSA-N
XLogP4.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide (CID 112977838) is 2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide is CCOc1cccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is OZGDUBPRNZZRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-2-26-21-9-6-10-22(15-21)28-17-23(25)24-19-11-13-20(14-12-19)27-16-18-7-4-3-5-8-18/h3-15H,2,16-17H2,1H3,(H,24,25).
What are the key properties of 2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 112977838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).