2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide

C13H23F3N2O — CID 115571393

IUPAC2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCCCCCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-10(12(19)17-9-13(14,15)16)18-11-7-5-3-2-4-6-8-11/h10-11,18H,2-9H2,1H3,(H,17,19)
InChIKeyKRUWDWQVLKWMTR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.76
Rot. Bonds4

About 2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115571393) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115571393
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCCCCCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-10(12(19)17-9-13(14,15)16)18-11-7-5-3-2-4-6-8-11/h10-11,18H,2-9H2,1H3,(H,17,19)
InChIKeyKRUWDWQVLKWMTR-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713809
2-(cyclohexylamino)-N-(2-methylpropyl)propanamide
CID 43086810
2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713799
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
N-cyclopentyl-2-(cyclopropylamino)propanamide
CID 43083564
2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 114110936
2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide
CID 43236392
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574953
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115649942

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115571393) is 2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NC1CCCCCCC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KRUWDWQVLKWMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-10(12(19)17-9-13(14,15)16)18-11-7-5-3-2-4-6-8-11/h10-11,18H,2-9H2,1H3,(H,17,19).
What are the key properties of 2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115571393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).