(2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide

C15H24F3NO — CID 100938448

IUPAC(2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide
SMILESC=C/C(C)=C(/C(=O)N(CCCC)CCCC)C(F)(F)F
InChIInChI=1S/C15H24F3NO/c1-5-8-10-19(11-9-6-2)14(20)13(12(4)7-3)15(16,17)18/h7H,3,5-6,8-11H2,1-2,4H3/b13-12-
InChIKeyARAULBSRTVCLHT-SEYXRHQNSA-N
MW291.36 g/mol
LogP4.48
Rot. Bonds8

About (2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide

(2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide (PubChem CID 100938448) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is (2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide
PubChem CID100938448
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name(2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide
SMILESC=C/C(C)=C(/C(=O)N(CCCC)CCCC)C(F)(F)F
InChIInChI=1S/C15H24F3NO/c1-5-8-10-19(11-9-6-2)14(20)13(12(4)7-3)15(16,17)18/h7H,3,5-6,8-11H2,1-2,4H3/b13-12-
InChIKeyARAULBSRTVCLHT-SEYXRHQNSA-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'}

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Related Compounds

(E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide
CID 10590860
(Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide
CID 15399687
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
(2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide
CID 15399693
(Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide
CID 15399695
N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide
CID 15472878
1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one
CID 91269404
4-Methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 115644259
1-Tert-butyl-3-methyl-4-(trifluoromethyl)pyridin-2-one
CID 130178153
3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
CID 142365548
4-ethenyl-3-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
CID 142367669
1-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-3,6-dihydro-2H-pyridin-1-yl]-2,2,2-trifluoroethanone;ethane
CID 143157782

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide?
The IUPAC name of (2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide (CID 100938448) is (2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide?
The canonical SMILES for (2Z)-N,N-dibutyl-3-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-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide?
The InChIKey is ARAULBSRTVCLHT-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H24F3NO/c1-5-8-10-19(11-9-6-2)14(20)13(12(4)7-3)15(16,17)18/h7H,3,5-6,8-11H2,1-2,4H3/b13-12-.
What are the key properties of (2Z)-N,N-dibutyl-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide?
(2Z)-N,N-dibutyl-3-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-3-methyl-2-(trifluoromethyl)penta-2,4-dienamide is sourced from PubChem (CID 100938448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).