2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide

C17H20N2O3 — CID 2532044

IUPAC2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-12-11-18-17(20)13-22-16-9-7-15(8-10-16)19-14-5-3-2-4-6-14/h2-10,19H,11-13H2,1H3,(H,18,20)
InChIKeyAPXDXQYAJLYREW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.57
Rot. Bonds8

About 2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide

2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 2532044) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID2532044
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-12-11-18-17(20)13-22-16-9-7-15(8-10-16)19-14-5-3-2-4-6-14/h2-10,19H,11-13H2,1H3,(H,18,20)
InChIKeyAPXDXQYAJLYREW-UHFFFAOYSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide (CID 2532044) is 2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is APXDXQYAJLYREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-12-11-18-17(20)13-22-16-9-7-15(8-10-16)19-14-5-3-2-4-6-14/h2-10,19H,11-13H2,1H3,(H,18,20).
What are the key properties of 2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide?
2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 2532044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).