2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C11H21F3N2O2 — CID 114176858

IUPAC2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(CCO)C(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-7(2)9(4-5-17)16-8(3)10(18)15-6-11(12,13)14/h7-9,16-17H,4-6H2,1-3H3,(H,15,18)
InChIKeyGGTPPNVAKQNFPJ-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.05
Rot. Bonds7

About 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 114176858) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID114176858
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC Name2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(CCO)C(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-7(2)9(4-5-17)16-8(3)10(18)15-6-11(12,13)14/h7-9,16-17H,4-6H2,1-3H3,(H,15,18)
InChIKeyGGTPPNVAKQNFPJ-UHFFFAOYSA-N
XLogP1.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)amino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 14719965
2-amino-N-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-N-propylacetamide;propane
CID 144985748
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961948
3,3,3-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247486
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62022395
2-[(3-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65036394
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66091400
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386169
2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 75449284
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79249020
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79249786
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260673

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 114176858) is 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NC(CCO)C(C)C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GGTPPNVAKQNFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-7(2)9(4-5-17)16-8(3)10(18)15-6-11(12,13)14/h7-9,16-17H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 270.30 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 114176858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).