2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide

C16H21NO4 — CID 171832831

IUPAC2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide
SMILESC/C=C/CNC(=O)COCCOc1cccc(C(C)=O)c1
InChIInChI=1S/C16H21NO4/c1-3-4-8-17-16(19)12-20-9-10-21-15-7-5-6-14(11-15)13(2)18/h3-7,11H,8-10,12H2,1-2H3,(H,17,19)/b4-3+
InChIKeyVCUJYRLRIQPYCY-ONEGZZNKSA-N
MW291.35 g/mol
LogP1.98
Rot. Bonds9

About 2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide

2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide (PubChem CID 171832831) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide
PubChem CID171832831
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide
SMILESC/C=C/CNC(=O)COCCOc1cccc(C(C)=O)c1
InChIInChI=1S/C16H21NO4/c1-3-4-8-17-16(19)12-20-9-10-21-15-7-5-6-14(11-15)13(2)18/h3-7,11H,8-10,12H2,1-2H3,(H,17,19)/b4-3+
InChIKeyVCUJYRLRIQPYCY-ONEGZZNKSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide?
The IUPAC name of 2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide (CID 171832831) is 2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide.
What is the SMILES notation for 2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide?
The canonical SMILES for 2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide is C/C=C/CNC(=O)COCCOc1cccc(C(C)=O)c1.
What is the InChIKey of 2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide?
The InChIKey is VCUJYRLRIQPYCY-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-4-8-17-16(19)12-20-9-10-21-15-7-5-6-14(11-15)13(2)18/h3-7,11H,8-10,12H2,1-2H3,(H,17,19)/b4-3+.
What are the key properties of 2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide?
2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide is sourced from PubChem (CID 171832831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).