[(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate

C15H19NO4 — CID 70553752

IUPAC[(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate
SMILESCC(=O)Nc1ccc(OC/C=C(\C)COC(C)=O)cc1
InChIInChI=1S/C15H19NO4/c1-11(10-20-13(3)18)8-9-19-15-6-4-14(5-7-15)16-12(2)17/h4-8H,9-10H2,1-3H3,(H,16,17)/b11-8+
InChIKeyOQNPVIDSGPDBCA-DHZHZOJOSA-N
MW277.32 g/mol
LogP2.53
Rot. Bonds6

About [(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate

[(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate (PubChem CID 70553752) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate
PubChem CID70553752
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate
SMILESCC(=O)Nc1ccc(OC/C=C(\C)COC(C)=O)cc1
InChIInChI=1S/C15H19NO4/c1-11(10-20-13(3)18)8-9-19-15-6-4-14(5-7-15)16-12(2)17/h4-8H,9-10H2,1-3H3,(H,16,17)/b11-8+
InChIKeyOQNPVIDSGPDBCA-DHZHZOJOSA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chlorobut-2-enoxy)phenyl]acetamide
CID 77051372
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
N-[4-(2-oxopentoxy)phenyl]acetamide
CID 62041871
ethyl 4-(4-acetamidophenoxy)-3-oxobutanoate
CID 60643861
N-[4-[3-(4-acetamidophenoxy)-2-[(4-acetamidophenoxy)methyl]-2-hydroxypropoxy]phenyl]acetamide;hydrate
CID 139075586
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide
CID 60879910
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
2-(4-acetamidophenoxy)ethyl (Z)-3-aminobut-2-enoate
CID 70416182

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate?
The IUPAC name of [(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate (CID 70553752) is [(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate.
What is the SMILES notation for [(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate?
The canonical SMILES for [(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate is CC(=O)Nc1ccc(OC/C=C(\C)COC(C)=O)cc1.
What is the InChIKey of [(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate?
The InChIKey is OQNPVIDSGPDBCA-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11(10-20-13(3)18)8-9-19-15-6-4-14(5-7-15)16-12(2)17/h4-8H,9-10H2,1-3H3,(H,16,17)/b11-8+.
What are the key properties of [(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate?
[(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate has a molecular weight of 277.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(4-acetamidophenoxy)-2-methylbut-2-enyl] acetate is sourced from PubChem (CID 70553752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).