2-butoxy-N-[(E)-pent-2-enyl]acetamide

C11H21NO2 — CID 170184358

IUPAC2-butoxy-N-[(E)-pent-2-enyl]acetamide
SMILESCC/C=C/CNC(=O)COCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-7-8-12-11(13)10-14-9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3,(H,12,13)/b7-5+
InChIKeyWRCFKWMZGDFADX-FNORWQNLSA-N
MW199.29 g/mol
LogP1.89
Rot. Bonds8

About 2-butoxy-N-[(E)-pent-2-enyl]acetamide

2-butoxy-N-[(E)-pent-2-enyl]acetamide (PubChem CID 170184358) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-butoxy-N-[(E)-pent-2-enyl]acetamide.

Molecular Properties

Compound Name2-butoxy-N-[(E)-pent-2-enyl]acetamide
PubChem CID170184358
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-butoxy-N-[(E)-pent-2-enyl]acetamide
SMILESCC/C=C/CNC(=O)COCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-7-8-12-11(13)10-14-9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3,(H,12,13)/b7-5+
InChIKeyWRCFKWMZGDFADX-FNORWQNLSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(E)-pent-2-enyl]acetamide?
The IUPAC name of 2-butoxy-N-[(E)-pent-2-enyl]acetamide (CID 170184358) is 2-butoxy-N-[(E)-pent-2-enyl]acetamide.
What is the SMILES notation for 2-butoxy-N-[(E)-pent-2-enyl]acetamide?
The canonical SMILES for 2-butoxy-N-[(E)-pent-2-enyl]acetamide is CC/C=C/CNC(=O)COCCCC.
What is the InChIKey of 2-butoxy-N-[(E)-pent-2-enyl]acetamide?
The InChIKey is WRCFKWMZGDFADX-FNORWQNLSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-7-8-12-11(13)10-14-9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3,(H,12,13)/b7-5+.
What are the key properties of 2-butoxy-N-[(E)-pent-2-enyl]acetamide?
2-butoxy-N-[(E)-pent-2-enyl]acetamide has a molecular weight of 199.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(E)-pent-2-enyl]acetamide is sourced from PubChem (CID 170184358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).