(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide

C15H24F3NO — CID 15399691

IUPAC(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
SMILESC=C(C)/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F
InChIInChI=1S/C15H24F3NO/c1-5-7-9-19(10-8-6-2)14(20)13(11-12(3)4)15(16,17)18/h11H,3,5-10H2,1-2,4H3/b13-11-
InChIKeyYXKMJWPBORRZIX-QBFSEMIESA-N
MW291.36 g/mol
LogP4.48
Rot. Bonds8

About (2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide

(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide (PubChem CID 15399691) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is (2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
PubChem CID15399691
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
SMILESC=C(C)/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F
InChIInChI=1S/C15H24F3NO/c1-5-7-9-19(10-8-6-2)14(20)13(11-12(3)4)15(16,17)18/h11H,3,5-10H2,1-2,4H3/b13-11-
InChIKeyYXKMJWPBORRZIX-QBFSEMIESA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-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 (2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide?
The IUPAC name of (2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide (CID 15399691) is (2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide?
The canonical SMILES for (2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide is C=C(C)/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F.
What is the InChIKey of (2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide?
The InChIKey is YXKMJWPBORRZIX-QBFSEMIESA-N. The full InChI is InChI=1S/C15H24F3NO/c1-5-7-9-19(10-8-6-2)14(20)13(11-12(3)4)15(16,17)18/h11H,3,5-10H2,1-2,4H3/b13-11-.
What are the key properties of (2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide?
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide has a molecular weight of 291.36 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide is sourced from PubChem (CID 15399691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).