2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C11H21F3N2O3 — CID 106254218

IUPAC2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCCC(C)(O)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O3/c1-8(9(17)16-7-11(12,13)14)15-6-10(2,18)4-5-19-3/h8,15,18H,4-7H2,1-3H3,(H,16,17)
InChIKeyUUFLBMICPZFASS-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.43
Rot. Bonds8

About 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106254218) has the molecular formula C11H21F3N2O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106254218
Molecular FormulaC11H21F3N2O3
Molecular Weight286.29 g/mol
Exact Mass286.15
IUPAC Name2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCCC(C)(O)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O3/c1-8(9(17)16-7-11(12,13)14)15-6-10(2,18)4-5-19-3/h8,15,18H,4-7H2,1-3H3,(H,16,17)
InChIKeyUUFLBMICPZFASS-UHFFFAOYSA-N
XLogP0.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide
CID 114164663
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 106254016
2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571403
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid
CID 106249581
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114164804
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 106254850
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571432
3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 144653484
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574936
2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 113245983
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712364

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106254218) is 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is COCCC(C)(O)CNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is UUFLBMICPZFASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3/c1-8(9(17)16-7-11(12,13)14)15-6-10(2,18)4-5-19-3/h8,15,18H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 286.29 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106254218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).