N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide

C17H28F3NO — CID 10947134

IUPACN,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide
SMILESCCCCN(CCCC)C(=O)C(=C1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H28F3NO/c1-3-5-12-21(13-6-4-2)16(22)15(17(18,19)20)14-10-8-7-9-11-14/h3-13H2,1-2H3
InChIKeyQYPDBXAQOYOYHO-UHFFFAOYSA-N
MW319.41 g/mol
LogP5.24
Rot. Bonds7

About N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide

N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide (PubChem CID 10947134) has the molecular formula C17H28F3NO and a molecular weight of 319.41 g/mol. Its IUPAC name is N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide
PubChem CID10947134
Molecular FormulaC17H28F3NO
Molecular Weight319.41 g/mol
Exact Mass319.21
IUPAC NameN,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide
SMILESCCCCN(CCCC)C(=O)C(=C1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H28F3NO/c1-3-5-12-21(13-6-4-2)16(22)15(17(18,19)20)14-10-8-7-9-11-14/h3-13H2,1-2H3
InChIKeyQYPDBXAQOYOYHO-UHFFFAOYSA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide
CID 15399687
(Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide
CID 11024099
2-cyclohexylidene-N,N-diethylpropanamide
CID 102303656
(E)-N,N-diethyl-2,3-dimethylhept-2-enamide
CID 137429133
N,N-dibutyl-2-ethyl-3-methylhept-2-enamide
CID 172760388
1,5-Dimethyl-4-propyl-2,3-dihydropyridin-6-one
CID 143588066

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide?
The IUPAC name of N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide (CID 10947134) is N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide.
What is the SMILES notation for N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide?
The canonical SMILES for N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide is CCCCN(CCCC)C(=O)C(=C1CCCCC1)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide?
The InChIKey is QYPDBXAQOYOYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3NO/c1-3-5-12-21(13-6-4-2)16(22)15(17(18,19)20)14-10-8-7-9-11-14/h3-13H2,1-2H3.
What are the key properties of N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide?
N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide has a molecular weight of 319.41 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide is sourced from PubChem (CID 10947134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).