2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide

C17H17NO3 — CID 2533627

IUPAC2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-2-12-18-17(19)13-20-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h2-11H,1,12-13H2,(H,18,19)
InChIKeyYHLBSJXTOKNKAR-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.16
Rot. Bonds7

About 2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide

2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide (PubChem CID 2533627) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide
PubChem CID2533627
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-2-12-18-17(19)13-20-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h2-11H,1,12-13H2,(H,18,19)
InChIKeyYHLBSJXTOKNKAR-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide (CID 2533627) is 2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide?
The InChIKey is YHLBSJXTOKNKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-12-18-17(19)13-20-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h2-11H,1,12-13H2,(H,18,19).
What are the key properties of 2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide?
2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide has a molecular weight of 283.33 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 2533627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).