N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide

C16H28F3NO — CID 10518823

IUPACN,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide
SMILESCCCCN(CCCC)C(=O)C(=C(CC)CC)C(F)(F)F
InChIInChI=1S/C16H28F3NO/c1-5-9-11-20(12-10-6-2)15(21)14(16(17,18)19)13(7-3)8-4/h5-12H2,1-4H3
InChIKeyPTAQGLOCIXJTBE-UHFFFAOYSA-N
MW307.40 g/mol
LogP5.09
Rot. Bonds9

About N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide

N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide (PubChem CID 10518823) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide.

Molecular Properties

Compound NameN,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide
PubChem CID10518823
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC NameN,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide
SMILESCCCCN(CCCC)C(=O)C(=C(CC)CC)C(F)(F)F
InChIInChI=1S/C16H28F3NO/c1-5-9-11-20(12-10-6-2)15(21)14(16(17,18)19)13(7-3)8-4/h5-12H2,1-4H3
InChIKeyPTAQGLOCIXJTBE-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.40
LogP ≤ 55.09
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

1-[3,4,4,5,5,5-Hexafluoro-2-(trifluoromethyl)-2-pentenoyl]piperidine
CID 2255884
N,N-diethyl-3-fluoro-2-(trifluoromethyl)-2-heptenamide
CID 129809586
(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-2-(trifluoromethyl)hex-2-enamide
CID 15399687
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
(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
(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
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
CID 131186243
(2E)-2-[(Z)-but-2-en-2-yl]-N-(3,3-difluoropentyl)-N,4-dimethylpenta-2,4-dienamide;ethane
CID 144144280

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide?
The IUPAC name of N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide (CID 10518823) is N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide.
What is the SMILES notation for N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide?
The canonical SMILES for N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide is CCCCN(CCCC)C(=O)C(=C(CC)CC)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide?
The InChIKey is PTAQGLOCIXJTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-5-9-11-20(12-10-6-2)15(21)14(16(17,18)19)13(7-3)8-4/h5-12H2,1-4H3.
What are the key properties of N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide?
N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide has a molecular weight of 307.40 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide is sourced from PubChem (CID 10518823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).