N-[(E)-but-2-enyl]-2-butoxyacetamide

C10H19NO2 — CID 155242791

IUPACN-[(E)-but-2-enyl]-2-butoxyacetamide
SMILESC/C=C/CNC(=O)COCCCC
InChIInChI=1S/C10H19NO2/c1-3-5-7-11-10(12)9-13-8-6-4-2/h3,5H,4,6-9H2,1-2H3,(H,11,12)/b5-3+
InChIKeyZXALCOWNQUIBPO-HWKANZROSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds7

About N-[(E)-but-2-enyl]-2-butoxyacetamide

N-[(E)-but-2-enyl]-2-butoxyacetamide (PubChem CID 155242791) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-butoxyacetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-butoxyacetamide
PubChem CID155242791
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[(E)-but-2-enyl]-2-butoxyacetamide
SMILESC/C=C/CNC(=O)COCCCC
InChIInChI=1S/C10H19NO2/c1-3-5-7-11-10(12)9-13-8-6-4-2/h3,5H,4,6-9H2,1-2H3,(H,11,12)/b5-3+
InChIKeyZXALCOWNQUIBPO-HWKANZROSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.50
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 N-[(E)-but-2-enyl]-2-butoxyacetamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-butoxyacetamide (CID 155242791) is N-[(E)-but-2-enyl]-2-butoxyacetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-butoxyacetamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-butoxyacetamide is C/C=C/CNC(=O)COCCCC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-butoxyacetamide?
The InChIKey is ZXALCOWNQUIBPO-HWKANZROSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-7-11-10(12)9-13-8-6-4-2/h3,5H,4,6-9H2,1-2H3,(H,11,12)/b5-3+.
What are the key properties of N-[(E)-but-2-enyl]-2-butoxyacetamide?
N-[(E)-but-2-enyl]-2-butoxyacetamide has a molecular weight of 185.27 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-butoxyacetamide is sourced from PubChem (CID 155242791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).