N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide

C10H19NO2 — CID 178011544

IUPACN-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide
SMILESC/C=C/CNC(=O)C(C)(C)OCC
InChIInChI=1S/C10H19NO2/c1-5-7-8-11-9(12)10(3,4)13-6-2/h5,7H,6,8H2,1-4H3,(H,11,12)/b7-5+
InChIKeyWIJAQNPHZATDIO-FNORWQNLSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds5

About N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide

N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide (PubChem CID 178011544) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide
PubChem CID178011544
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide
SMILESC/C=C/CNC(=O)C(C)(C)OCC
InChIInChI=1S/C10H19NO2/c1-5-7-8-11-9(12)10(3,4)13-6-2/h5,7H,6,8H2,1-4H3,(H,11,12)/b7-5+
InChIKeyWIJAQNPHZATDIO-FNORWQNLSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-ethoxy-2-methylpropanamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide (CID 178011544) is N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide is C/C=C/CNC(=O)C(C)(C)OCC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide?
The InChIKey is WIJAQNPHZATDIO-FNORWQNLSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7-8-11-9(12)10(3,4)13-6-2/h5,7H,6,8H2,1-4H3,(H,11,12)/b7-5+.
What are the key properties of N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide?
N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide has a molecular weight of 185.27 g/mol, XLogP of 1.49, 5 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-ethoxy-2-methylpropanamide is sourced from PubChem (CID 178011544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).