N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide

C12H21F3N2O2 — CID 115518666

IUPACN-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide
SMILESO=C(CNCCCCC(F)(F)F)NC1CCOCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)5-1-2-6-16-9-11(18)17-10-3-7-19-8-4-10/h10,16H,1-9H2,(H,17,18)
InChIKeyIDRVQQCPQJVUDC-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.60
Rot. Bonds7

About N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide

N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide (PubChem CID 115518666) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide
PubChem CID115518666
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide
SMILESO=C(CNCCCCC(F)(F)F)NC1CCOCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)5-1-2-6-16-9-11(18)17-10-3-7-19-8-4-10/h10,16H,1-9H2,(H,17,18)
InChIKeyIDRVQQCPQJVUDC-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.60
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-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 175626370
2-[4-(3-methoxypropyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175626407
2-[(3R)-4-(3-ethoxypropyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175626412
2-[(3S)-4-(3-methoxypropyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175626419
2-[(2R)-4-(3-ethoxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175635960
N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide
CID 176856933
2-(oxan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961895
N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propylamino]acetamide
CID 54961919
3-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one
CID 55216541
2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide
CID 56788602
2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60946792
2-[Piperidin-4-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetamide
CID 61491592

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide (CID 115518666) is N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide is O=C(CNCCCCC(F)(F)F)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide?
The InChIKey is IDRVQQCPQJVUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)5-1-2-6-16-9-11(18)17-10-3-7-19-8-4-10/h10,16H,1-9H2,(H,17,18).
What are the key properties of N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide?
N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide is sourced from PubChem (CID 115518666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).