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

C12H23F3N2O2 — CID 107152260

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

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

2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107152260) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107152260
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC(O)CC(C)(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-8(10(19)17-7-12(13,14)15)16-6-9(18)5-11(2,3)4/h8-9,16,18H,5-7H2,1-4H3,(H,17,19)
InChIKeyNFDQZJSGPPNWKT-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 107152260) is 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC(O)CC(C)(C)C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is NFDQZJSGPPNWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-8(10(19)17-7-12(13,14)15)16-6-9(18)5-11(2,3)4/h8-9,16,18H,5-7H2,1-4H3,(H,17,19).
What are the key properties of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(2-hydroxy-4,4-dimethylpentyl)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-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107152260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).