2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide

C19H20BrNO4 — CID 1300507

IUPAC2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide
SMILESCCOc1cc(C=O)cc(Br)c1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C19H20BrNO4/c1-2-24-17-11-15(12-22)10-16(20)19(17)25-13-18(23)21-9-8-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9,13H2,1H3,(H,21,23)
InChIKeyYWMOLHWTENOPIH-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.40
Rot. Bonds9

About 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide

2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide (PubChem CID 1300507) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide
PubChem CID1300507
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Name2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide
SMILESCCOc1cc(C=O)cc(Br)c1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C19H20BrNO4/c1-2-24-17-11-15(12-22)10-16(20)19(17)25-13-18(23)21-9-8-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9,13H2,1H3,(H,21,23)
InChIKeyYWMOLHWTENOPIH-UHFFFAOYSA-N
XLogP3.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide (CID 1300507) is 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide is CCOc1cc(C=O)cc(Br)c1OCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide?
The InChIKey is YWMOLHWTENOPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-2-24-17-11-15(12-22)10-16(20)19(17)25-13-18(23)21-9-8-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9,13H2,1H3,(H,21,23).
What are the key properties of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide?
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide has a molecular weight of 406.28 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1300507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).