2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide

C20H34F6N2O2 — CID 58152578

IUPAC2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide
SMILESO=C(CCCCCCCCCCCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H34F6N2O2/c21-19(22,23)17(29)13-10-8-6-4-2-1-3-5-7-9-11-14-27-15-12-16-28-18(30)20(24,25)26/h27H,1-16H2,(H,28,30)
InChIKeyDLDRHMSIRVZWJN-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.46
Rot. Bonds18

About 2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide

2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide (PubChem CID 58152578) has the molecular formula C20H34F6N2O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide
PubChem CID58152578
Molecular FormulaC20H34F6N2O2
Molecular Weight448.49 g/mol
Exact Mass448.25
IUPAC Name2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide
SMILESO=C(CCCCCCCCCCCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H34F6N2O2/c21-19(22,23)17(29)13-10-8-6-4-2-1-3-5-7-9-11-14-27-15-12-16-28-18(30)20(24,25)26/h27H,1-16H2,(H,28,30)
InChIKeyDLDRHMSIRVZWJN-UHFFFAOYSA-N
XLogP5.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide
CID 123568887
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide
CID 146412399
2,2,2-trifluoro-N-[7-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-11-(undecylamino)undecyl]acetamide
CID 139942199
2,2,2-trifluoro-N-[9-[7-(octylamino)heptyl]-16-[(2,2,2-trifluoroacetyl)amino]hexadecyl]acetamide
CID 139942216
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
CID 130627633
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
N-(5-cyanopentyl)-2,2,2-trifluoroacetamide
CID 130012441
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
2-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]butanedioic acid
CID 88966323

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide (CID 58152578) is 2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide is O=C(CCCCCCCCCCCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide?
The InChIKey is DLDRHMSIRVZWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F6N2O2/c21-19(22,23)17(29)13-10-8-6-4-2-1-3-5-7-9-11-14-27-15-12-16-28-18(30)20(24,25)26/h27H,1-16H2,(H,28,30).
What are the key properties of 2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide?
2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide has a molecular weight of 448.49 g/mol, XLogP of 5.46, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide is sourced from PubChem (CID 58152578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).