(Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide

C15H26F3NO — CID 15399695

IUPAC(Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide
SMILESCCCCN(CCCC)C(=O)/C(=C/C(C)C)C(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-5-7-9-19(10-8-6-2)14(20)13(11-12(3)4)15(16,17)18/h11-12H,5-10H2,1-4H3/b13-11-
InChIKeyZNUIALGKRQRXSA-QBFSEMIESA-N
MW293.37 g/mol
LogP4.56
Rot. Bonds8

About (Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide

(Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide (PubChem CID 15399695) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is (Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide
PubChem CID15399695
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name(Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide
SMILESCCCCN(CCCC)C(=O)/C(=C/C(C)C)C(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-5-7-9-19(10-8-6-2)14(20)13(11-12(3)4)15(16,17)18/h11-12H,5-10H2,1-4H3/b13-11-
InChIKeyZNUIALGKRQRXSA-QBFSEMIESA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 115772182
N,N-diethyl-3-fluoro-2-(trifluoromethyl)-2-heptenamide
CID 129809586
N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide
CID 10518823
(Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide
CID 10520811
(E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide
CID 10590860
(Z)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide
CID 11415567
(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
(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
CID 23266376
(Z)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
CID 23266377
N-(3,3-difluoropropyl)-3-methyl-2-methylidene-N-propylbutanamide
CID 89352169
5-Methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 90064732

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide?
The IUPAC name of (Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide (CID 15399695) is (Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide.
What is the SMILES notation for (Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide?
The canonical SMILES for (Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide is CCCCN(CCCC)C(=O)/C(=C/C(C)C)C(F)(F)F.
What is the InChIKey of (Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide?
The InChIKey is ZNUIALGKRQRXSA-QBFSEMIESA-N. The full InChI is InChI=1S/C15H26F3NO/c1-5-7-9-19(10-8-6-2)14(20)13(11-12(3)4)15(16,17)18/h11-12H,5-10H2,1-4H3/b13-11-.
What are the key properties of (Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide?
(Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide is sourced from PubChem (CID 15399695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).