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

C12H23F3N2O2 — CID 106349576

IUPAC2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(CCO)C(C)(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-8(10(19)16-7-12(13,14)15)17-9(5-6-18)11(2,3)4/h8-9,17-18H,5-7H2,1-4H3,(H,16,19)
InChIKeyQQIIBYNIMGWJAH-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.44
Rot. Bonds6

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

2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106349576) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106349576
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(CCO)C(C)(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-8(10(19)16-7-12(13,14)15)17-9(5-6-18)11(2,3)4/h8-9,17-18H,5-7H2,1-4H3,(H,16,19)
InChIKeyQQIIBYNIMGWJAH-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961948
N1-(3-hydroxy-4,4-dimethylpentyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 71787638
2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 75449284
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261004
2-amino-3,3,3-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpropanamide
CID 79805882
2-(5-hydroxypentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 80294589
2-amino-3,3,3-trifluoro-N-(5-hydroxypentan-2-yl)-2-methylpropanamide
CID 80295025
N-(5-hydroxypentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80295435
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 81648596
4,4-Dimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]pentanoic acid
CID 81988058
2-amino-3,3,3-trifluoro-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83177447
2-(4-hydroxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 83177539

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106349576) is 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NC(CCO)C(C)(C)C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QQIIBYNIMGWJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-8(10(19)16-7-12(13,14)15)17-9(5-6-18)11(2,3)4/h8-9,17-18H,5-7H2,1-4H3,(H,16,19).
What are the key properties of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106349576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).