2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C12H23F3N2O2 — CID 106285348

IUPAC2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)C(O)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-4-9(5-2)10(18)6-16-8(3)11(19)17-7-12(13,14)15/h8-10,16,18H,4-7H2,1-3H3,(H,17,19)
InChIKeyIPFOSKOSNUHXDE-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.44
Rot. Bonds8

About 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106285348) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106285348
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)C(O)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-4-9(5-2)10(18)6-16-8(3)11(19)17-7-12(13,14)15/h8-10,16,18H,4-7H2,1-3H3,(H,17,19)
InChIKeyIPFOSKOSNUHXDE-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 106286124
N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 114168386
2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113233685
N-cyclopropyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 114168417
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401
2-[(1-methylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103724720
2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113494695
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104922013
2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 122359947
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574936
[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]azanium chloride
CID 90216700

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106285348) is 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CCC(CC)C(O)CNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IPFOSKOSNUHXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-4-9(5-2)10(18)6-16-8(3)11(19)17-7-12(13,14)15/h8-10,16,18H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106285348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).