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

C14H19NO2 — CID 113466030

IUPACN-but-3-enyl-2-(4-ethoxyphenyl)acetamide
SMILESC=CCCNC(=O)Cc1ccc(OCC)cc1
InChIInChI=1S/C14H19NO2/c1-3-5-10-15-14(16)11-12-6-8-13(9-7-12)17-4-2/h3,6-9H,1,4-5,10-11H2,2H3,(H,15,16)
InChIKeyZEKHGWFDYBMDRC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds7

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

N-but-3-enyl-2-(4-ethoxyphenyl)acetamide (PubChem CID 113466030) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-but-3-enyl-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-but-3-enyl-2-(4-ethoxyphenyl)acetamide
PubChem CID113466030
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-but-3-enyl-2-(4-ethoxyphenyl)acetamide
SMILESC=CCCNC(=O)Cc1ccc(OCC)cc1
InChIInChI=1S/C14H19NO2/c1-3-5-10-15-14(16)11-12-6-8-13(9-7-12)17-4-2/h3,6-9H,1,4-5,10-11H2,2H3,(H,15,16)
InChIKeyZEKHGWFDYBMDRC-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethoxyphenoxy)acetamide
CID 113465944
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017
N-[2-(2-aminoethoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 82354234
2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide
CID 108924311
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114746
1-[(4-ethoxyphenyl)methyl]-3-prop-2-enylurea
CID 108884465
N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55920744

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-but-3-enyl-2-(4-ethoxyphenyl)acetamide (CID 113466030) is N-but-3-enyl-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-but-3-enyl-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-but-3-enyl-2-(4-ethoxyphenyl)acetamide is C=CCCNC(=O)Cc1ccc(OCC)cc1.
What is the InChIKey of N-but-3-enyl-2-(4-ethoxyphenyl)acetamide?
The InChIKey is ZEKHGWFDYBMDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-5-10-15-14(16)11-12-6-8-13(9-7-12)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-ethoxyphenyl)acetamide?
N-but-3-enyl-2-(4-ethoxyphenyl)acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 113466030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).