N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide

C15H28F3N3O2 — CID 166884715

IUPACN-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide
SMILESCCCCCCCC(=O)NC(CC(N)=O)C(NCC)C(F)(F)F
InChIInChI=1S/C15H28F3N3O2/c1-3-5-6-7-8-9-13(23)21-11(10-12(19)22)14(20-4-2)15(16,17)18/h11,14,20H,3-10H2,1-2H3,(H2,19,22)(H,21,23)
InChIKeyHAOUNCZKDYPSIQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.25
Rot. Bonds12

About N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide

N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide (PubChem CID 166884715) has the molecular formula C15H28F3N3O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide.

Molecular Properties

Compound NameN-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide
PubChem CID166884715
Molecular FormulaC15H28F3N3O2
Molecular Weight339.40 g/mol
Exact Mass339.21
IUPAC NameN-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide
SMILESCCCCCCCC(=O)NC(CC(N)=O)C(NCC)C(F)(F)F
InChIInChI=1S/C15H28F3N3O2/c1-3-5-6-7-8-9-13(23)21-11(10-12(19)22)14(20-4-2)15(16,17)18/h11,14,20H,3-10H2,1-2H3,(H2,19,22)(H,21,23)
InChIKeyHAOUNCZKDYPSIQ-UHFFFAOYSA-N
XLogP2.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-5-amino-1,1,1-trifluoro-2-hydroxy-5-oxopentan-3-yl]octanamide
CID 162387244
(3R)-4-ethyl-6,6-dimethyl-3-(octanoylamino)heptanamide
CID 170222496
(2S)-2-(decanoylamino)butanediamide
CID 54547398
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
N-[1-(ethylamino)butyl]dodecanamide
CID 87831104
(5S)-5-chloro-6,6-dimethyl-3-(octanoylamino)-4-oxoheptanamide
CID 166884598
4-amino-3-(hexadecanoylamino)-4-oxobutanoic acid
CID 91591572
N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide
CID 175181589
(2S)-4-amino-4-oxo-2-[[(Z)-pentadec-9-enoyl]amino]butanoic acid
CID 171116631
N-ethyloctadecanamide;octadecanamide
CID 159879248
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide?
The IUPAC name of N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide (CID 166884715) is N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide.
What is the SMILES notation for N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide?
The canonical SMILES for N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide is CCCCCCCC(=O)NC(CC(N)=O)C(NCC)C(F)(F)F.
What is the InChIKey of N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide?
The InChIKey is HAOUNCZKDYPSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3O2/c1-3-5-6-7-8-9-13(23)21-11(10-12(19)22)14(20-4-2)15(16,17)18/h11,14,20H,3-10H2,1-2H3,(H2,19,22)(H,21,23).
What are the key properties of N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide?
N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide has a molecular weight of 339.40 g/mol, XLogP of 2.25, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(ethylamino)-1,1,1-trifluoro-5-oxopentan-3-yl]octanamide is sourced from PubChem (CID 166884715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).