(2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide

C16H24F3NO — CID 137427216

IUPAC(2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide
SMILESC=C/C(=C\C(=C/C)C(=O)NC(CCC)CCC)C(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-5-9-14(10-6-2)20-15(21)12(7-3)11-13(8-4)16(17,18)19/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,20,21)/b12-7+,13-11+
InChIKeyYRTPLERZWCKCGB-ZPLWXOMKSA-N
MW303.37 g/mol
LogP4.69
Rot. Bonds8

About (2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide

(2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide (PubChem CID 137427216) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide
PubChem CID137427216
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name(2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide
SMILESC=C/C(=C\C(=C/C)C(=O)NC(CCC)CCC)C(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-5-9-14(10-6-2)20-15(21)12(7-3)11-13(8-4)16(17,18)19/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,20,21)/b12-7+,13-11+
InChIKeyYRTPLERZWCKCGB-ZPLWXOMKSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide 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 (2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide?
The IUPAC name of (2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide (CID 137427216) is (2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide.
What is the SMILES notation for (2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide?
The canonical SMILES for (2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide is C=C/C(=C\C(=C/C)C(=O)NC(CCC)CCC)C(F)(F)F.
What is the InChIKey of (2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide?
The InChIKey is YRTPLERZWCKCGB-ZPLWXOMKSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-5-9-14(10-6-2)20-15(21)12(7-3)11-13(8-4)16(17,18)19/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,20,21)/b12-7+,13-11+.
What are the key properties of (2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide?
(2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide has a molecular weight of 303.37 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-N-heptan-4-yl-4-(trifluoromethyl)hexa-3,5-dienamide is sourced from PubChem (CID 137427216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).