N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide

C15H24F6N2O2 — CID 17285414

IUPACN-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide
SMILESCCCCC(CC)(CCCNC(=O)C(F)(F)F)CNC(=O)C(F)(F)F
InChIInChI=1S/C15H24F6N2O2/c1-3-5-7-13(4-2,10-23-12(25)15(19,20)21)8-6-9-22-11(24)14(16,17)18/h3-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWPDMYIAJLCKCPI-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.71
Rot. Bonds10

About N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide

N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide (PubChem CID 17285414) has the molecular formula C15H24F6N2O2 and a molecular weight of 378.36 g/mol. Its IUPAC name is N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide
PubChem CID17285414
Molecular FormulaC15H24F6N2O2
Molecular Weight378.36 g/mol
Exact Mass378.17
IUPAC NameN-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide
SMILESCCCCC(CC)(CCCNC(=O)C(F)(F)F)CNC(=O)C(F)(F)F
InChIInChI=1S/C15H24F6N2O2/c1-3-5-7-13(4-2,10-23-12(25)15(19,20)21)8-6-9-22-11(24)14(16,17)18/h3-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWPDMYIAJLCKCPI-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide 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

2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide
CID 150813708
N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide
CID 40601025
N-[4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide
CID 4318608
dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium
CID 172843562
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide
CID 130165694
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
2,2,2-trifluoro-N-[9-[7-(octylamino)heptyl]-16-[(2,2,2-trifluoroacetyl)amino]hexadecyl]acetamide
CID 139942216
2,2,2-trifluoro-N-[7-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-11-(undecylamino)undecyl]acetamide
CID 139942199
5,8-dibutyl-5,8-diethyldodecane
CID 140960006

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide (CID 17285414) is N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide is CCCCC(CC)(CCCNC(=O)C(F)(F)F)CNC(=O)C(F)(F)F.
What is the InChIKey of N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide?
The InChIKey is WPDMYIAJLCKCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6N2O2/c1-3-5-7-13(4-2,10-23-12(25)15(19,20)21)8-6-9-22-11(24)14(16,17)18/h3-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide?
N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide has a molecular weight of 378.36 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 17285414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).