N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide

C16H19NO3 — CID 54033017

IUPACN-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide
SMILESC=CCc1cc(C=CNC(C)=O)ccc1OCC1CO1
InChIInChI=1S/C16H19NO3/c1-3-4-14-9-13(7-8-17-12(2)18)5-6-16(14)20-11-15-10-19-15/h3,5-9,15H,1,4,10-11H2,2H3,(H,17,18)
InChIKeyLGYLPJJDVMJVCY-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.30
Rot. Bonds7

About N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide

N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide (PubChem CID 54033017) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide
PubChem CID54033017
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide
SMILESC=CCc1cc(C=CNC(C)=O)ccc1OCC1CO1
InChIInChI=1S/C16H19NO3/c1-3-4-14-9-13(7-8-17-12(2)18)5-6-16(14)20-11-15-10-19-15/h3,5-9,15H,1,4,10-11H2,2H3,(H,17,18)
InChIKeyLGYLPJJDVMJVCY-UHFFFAOYSA-N
XLogP2.30
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide?
The IUPAC name of N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide (CID 54033017) is N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide.
What is the SMILES notation for N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide?
The canonical SMILES for N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide is C=CCc1cc(C=CNC(C)=O)ccc1OCC1CO1.
What is the InChIKey of N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide?
The InChIKey is LGYLPJJDVMJVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-4-14-9-13(7-8-17-12(2)18)5-6-16(14)20-11-15-10-19-15/h3,5-9,15H,1,4,10-11H2,2H3,(H,17,18).
What are the key properties of N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide?
N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide has a molecular weight of 273.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethenyl]acetamide is sourced from PubChem (CID 54033017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).