2-(4-formylphenoxy)acetamide

C9H9NO3 — CID 601630

IUPAC2-(4-formylphenoxy)acetamide
SMILESNC(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C9H9NO3/c10-9(12)6-13-8-3-1-7(5-11)2-4-8/h1-5H,6H2,(H2,10,12)
InChIKeyFLPJVCMIKUWSDR-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.36
Rot. Bonds4

About 2-(4-formylphenoxy)acetamide

2-(4-formylphenoxy)acetamide (PubChem CID 601630) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(4-formylphenoxy)acetamide.

Molecular Properties

Compound Name2-(4-formylphenoxy)acetamide
PubChem CID601630
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-(4-formylphenoxy)acetamide
SMILESNC(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C9H9NO3/c10-9(12)6-13-8-3-1-7(5-11)2-4-8/h1-5H,6H2,(H2,10,12)
InChIKeyFLPJVCMIKUWSDR-UHFFFAOYSA-N
XLogP0.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-formylphenoxy)acetamide?
The IUPAC name of 2-(4-formylphenoxy)acetamide (CID 601630) is 2-(4-formylphenoxy)acetamide.
What is the SMILES notation for 2-(4-formylphenoxy)acetamide?
The canonical SMILES for 2-(4-formylphenoxy)acetamide is NC(=O)COc1ccc(C=O)cc1.
What is the InChIKey of 2-(4-formylphenoxy)acetamide?
The InChIKey is FLPJVCMIKUWSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c10-9(12)6-13-8-3-1-7(5-11)2-4-8/h1-5H,6H2,(H2,10,12).
What are the key properties of 2-(4-formylphenoxy)acetamide?
2-(4-formylphenoxy)acetamide has a molecular weight of 179.17 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenoxy)acetamide is sourced from PubChem (CID 601630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).