N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide

C14H24F3NO — CID 15472878

IUPACN,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide
SMILESCCCCN(CCCC)C(=O)C(=C(C)C)C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-5-7-9-18(10-8-6-2)13(19)12(11(3)4)14(15,16)17/h5-10H2,1-4H3
InChIKeySDZIYCDNAWHXJT-UHFFFAOYSA-N
MW279.35 g/mol
LogP4.31
Rot. Bonds7

About N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide

N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide (PubChem CID 15472878) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide.

Molecular Properties

Compound NameN,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide
PubChem CID15472878
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide
SMILESCCCCN(CCCC)C(=O)C(=C(C)C)C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-5-7-9-18(10-8-6-2)13(19)12(11(3)4)14(15,16)17/h5-10H2,1-4H3
InChIKeySDZIYCDNAWHXJT-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 54.31
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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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide?
The IUPAC name of N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide (CID 15472878) is N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide.
What is the SMILES notation for N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide?
The canonical SMILES for N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide is CCCCN(CCCC)C(=O)C(=C(C)C)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide?
The InChIKey is SDZIYCDNAWHXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-5-7-9-18(10-8-6-2)13(19)12(11(3)4)14(15,16)17/h5-10H2,1-4H3.
What are the key properties of N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide?
N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide has a molecular weight of 279.35 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide is sourced from PubChem (CID 15472878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).