(E)-N-(2-cyclohexyloxyethyl)but-2-enamide

C12H21NO2 — CID 134349334

IUPAC(E)-N-(2-cyclohexyloxyethyl)but-2-enamide
SMILESC/C=C/C(=O)NCCOC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-2-6-12(14)13-9-10-15-11-7-4-3-5-8-11/h2,6,11H,3-5,7-10H2,1H3,(H,13,14)/b6-2+
InChIKeyCGIZKHZJPWHIKX-QHHAFSJGSA-N
MW211.30 g/mol
LogP2.03
Rot. Bonds5

About (E)-N-(2-cyclohexyloxyethyl)but-2-enamide

(E)-N-(2-cyclohexyloxyethyl)but-2-enamide (PubChem CID 134349334) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (E)-N-(2-cyclohexyloxyethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyclohexyloxyethyl)but-2-enamide
PubChem CID134349334
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(E)-N-(2-cyclohexyloxyethyl)but-2-enamide
SMILESC/C=C/C(=O)NCCOC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-2-6-12(14)13-9-10-15-11-7-4-3-5-8-11/h2,6,11H,3-5,7-10H2,1H3,(H,13,14)/b6-2+
InChIKeyCGIZKHZJPWHIKX-QHHAFSJGSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2-cyclohexyloxyethyl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-cyclohexyloxyethyl)but-2-enamide?
The IUPAC name of (E)-N-(2-cyclohexyloxyethyl)but-2-enamide (CID 134349334) is (E)-N-(2-cyclohexyloxyethyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-cyclohexyloxyethyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-cyclohexyloxyethyl)but-2-enamide is C/C=C/C(=O)NCCOC1CCCCC1.
What is the InChIKey of (E)-N-(2-cyclohexyloxyethyl)but-2-enamide?
The InChIKey is CGIZKHZJPWHIKX-QHHAFSJGSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-6-12(14)13-9-10-15-11-7-4-3-5-8-11/h2,6,11H,3-5,7-10H2,1H3,(H,13,14)/b6-2+.
What are the key properties of (E)-N-(2-cyclohexyloxyethyl)but-2-enamide?
(E)-N-(2-cyclohexyloxyethyl)but-2-enamide has a molecular weight of 211.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclohexyloxyethyl)but-2-enamide is sourced from PubChem (CID 134349334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).