2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide

C13H24F3NO — CID 163592368

IUPAC2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide
SMILESCCC(CC(C)(C)C)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-5-10(9-12(2,3)4)11(18)17-8-6-7-13(14,15)16/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyGQONWACDERLMHK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.91
Rot. Bonds6

About 2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide

2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide (PubChem CID 163592368) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide.

Molecular Properties

Compound Name2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide
PubChem CID163592368
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide
SMILESCCC(CC(C)(C)C)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-5-10(9-12(2,3)4)11(18)17-8-6-7-13(14,15)16/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyGQONWACDERLMHK-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide 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

2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide
CID 166866622
1-butyl-3-(4,4,4-trifluorobutyl)urea
CID 115663087
(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519316
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
(2R)-2-(4,4,4-trifluorobutylcarbamoylamino)butanoic acid
CID 115521367
2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
CID 113327482
ethyl N-(4,4,4-trifluorobutyl)carbamate
CID 79039127
3,3-dimethyl-2-(5,5,5-trifluoropentylcarbamoyl)butanoic acid
CID 116537377
2-ethyl-N-pentylhexanamide
CID 5123867
6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
CID 113327443
(4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide
CID 134548781

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide?
The IUPAC name of 2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide (CID 163592368) is 2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide.
What is the SMILES notation for 2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide?
The canonical SMILES for 2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide is CCC(CC(C)(C)C)C(=O)NCCCC(F)(F)F.
What is the InChIKey of 2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide?
The InChIKey is GQONWACDERLMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-5-10(9-12(2,3)4)11(18)17-8-6-7-13(14,15)16/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide?
2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide has a molecular weight of 267.33 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide is sourced from PubChem (CID 163592368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).