N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide

C14H19NO3 — CID 113465944

IUPACN-but-3-enyl-2-(4-ethoxyphenoxy)acetamide
SMILESC=CCCNC(=O)COc1ccc(OCC)cc1
InChIInChI=1S/C14H19NO3/c1-3-5-10-15-14(16)11-18-13-8-6-12(7-9-13)17-4-2/h3,6-9H,1,4-5,10-11H2,2H3,(H,15,16)
InChIKeyWTXSMYNVZLISKJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.16
Rot. Bonds8

About N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide

N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide (PubChem CID 113465944) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-but-3-enyl-2-(4-ethoxyphenoxy)acetamide
PubChem CID113465944
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-but-3-enyl-2-(4-ethoxyphenoxy)acetamide
SMILESC=CCCNC(=O)COc1ccc(OCC)cc1
InChIInChI=1S/C14H19NO3/c1-3-5-10-15-14(16)11-18-13-8-6-12(7-9-13)17-4-2/h3,6-9H,1,4-5,10-11H2,2H3,(H,15,16)
InChIKeyWTXSMYNVZLISKJ-UHFFFAOYSA-N
XLogP2.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enyl-2-(4-ethoxyphenyl)acetamide
CID 113466030
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108537687
(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107834053
2-(4-ethoxyphenoxy)-N-[2-(furan-3-yl)ethyl]acetamide
CID 90558332
2-chloro-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 46461477
N-ethoxy-2-(4-ethoxyphenoxy)acetamide
CID 60700690
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
N-(butylcarbamoyl)-2-(4-ethoxyphenoxy)acetamide
CID 9353681
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 7919539
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488
N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide
CID 100569556

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide (CID 113465944) is N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide is C=CCCNC(=O)COc1ccc(OCC)cc1.
What is the InChIKey of N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is WTXSMYNVZLISKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-5-10-15-14(16)11-18-13-8-6-12(7-9-13)17-4-2/h3,6-9H,1,4-5,10-11H2,2H3,(H,15,16).
What are the key properties of N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide?
N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 249.31 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 113465944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).