(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide

C13H23F2NO2 — CID 153306587

IUPAC(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
SMILESCC(C)CNC(=O)C(F)(F)/C=C/COCC(C)C
InChIInChI=1S/C13H23F2NO2/c1-10(2)8-16-12(17)13(14,15)6-5-7-18-9-11(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,16,17)/b6-5+
InChIKeyAPEQEPWBFXQYDQ-AATRIKPKSA-N
MW263.33 g/mol
LogP2.62
Rot. Bonds8

About (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide

(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide (PubChem CID 153306587) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide.

Molecular Properties

Compound Name(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
PubChem CID153306587
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
SMILESCC(C)CNC(=O)C(F)(F)/C=C/COCC(C)C
InChIInChI=1S/C13H23F2NO2/c1-10(2)8-16-12(17)13(14,15)6-5-7-18-9-11(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,16,17)/b6-5+
InChIKeyAPEQEPWBFXQYDQ-AATRIKPKSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.62
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)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-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)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide?
The IUPAC name of (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide (CID 153306587) is (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide.
What is the SMILES notation for (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide?
The canonical SMILES for (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide is CC(C)CNC(=O)C(F)(F)/C=C/COCC(C)C.
What is the InChIKey of (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide?
The InChIKey is APEQEPWBFXQYDQ-AATRIKPKSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-10(2)8-16-12(17)13(14,15)6-5-7-18-9-11(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,16,17)/b6-5+.
What are the key properties of (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide?
(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide has a molecular weight of 263.33 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide is sourced from PubChem (CID 153306587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).