(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide

C16H29F2NO2 — CID 153306623

IUPAC(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide
SMILESCC(C)(C)CNC(=O)C(F)(F)C/C=C/COCC(C)(C)C
InChIInChI=1S/C16H29F2NO2/c1-14(2,3)11-19-13(20)16(17,18)9-7-8-10-21-12-15(4,5)6/h7-8H,9-12H2,1-6H3,(H,19,20)/b8-7+
InChIKeyOOYCLHSBLYUTHX-BQYQJAHWSA-N
MW305.41 g/mol
LogP3.79
Rot. Bonds7

About (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide

(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide (PubChem CID 153306623) has the molecular formula C16H29F2NO2 and a molecular weight of 305.41 g/mol. Its IUPAC name is (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide.

Molecular Properties

Compound Name(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide
PubChem CID153306623
Molecular FormulaC16H29F2NO2
Molecular Weight305.41 g/mol
Exact Mass305.22
IUPAC Name(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide
SMILESCC(C)(C)CNC(=O)C(F)(F)C/C=C/COCC(C)(C)C
InChIInChI=1S/C16H29F2NO2/c1-14(2,3)11-19-13(20)16(17,18)9-7-8-10-21-12-15(4,5)6/h7-8H,9-12H2,1-6H3,(H,19,20)/b8-7+
InChIKeyOOYCLHSBLYUTHX-BQYQJAHWSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.79
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'}

Analyze (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-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)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide?
The IUPAC name of (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide (CID 153306623) is (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide.
What is the SMILES notation for (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide?
The canonical SMILES for (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide is CC(C)(C)CNC(=O)C(F)(F)C/C=C/COCC(C)(C)C.
What is the InChIKey of (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide?
The InChIKey is OOYCLHSBLYUTHX-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H29F2NO2/c1-14(2,3)11-19-13(20)16(17,18)9-7-8-10-21-12-15(4,5)6/h7-8H,9-12H2,1-6H3,(H,19,20)/b8-7+.
What are the key properties of (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide?
(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide has a molecular weight of 305.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide is sourced from PubChem (CID 153306623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).