2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide

C11H21F3N2O2 — CID 106116606

IUPAC2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
SMILESCCCC(CCO)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-4-8(5-6-17)7-16-9(18)10(2,15)11(12,13)14/h8,17H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyBPEMDKXLLHCJHO-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.18
Rot. Bonds7

About 2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide (PubChem CID 106116606) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
PubChem CID106116606
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
SMILESCCCC(CCO)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-4-8(5-6-17)7-16-9(18)10(2,15)11(12,13)14/h8,17H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyBPEMDKXLLHCJHO-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106114985
2-(ethylamino)-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 114145534
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
CID 106116615
2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]butanoic acid
CID 79811364
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165
N-[2-(2-aminoethyl)pentyl]-2,2-dimethylpropanamide
CID 106116137
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide
CID 106116834
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 114093542
2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 113248427

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide (CID 106116606) is 2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide is CCCC(CCO)CNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide?
The InChIKey is BPEMDKXLLHCJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-3-4-8(5-6-17)7-16-9(18)10(2,15)11(12,13)14/h8,17H,3-7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide has a molecular weight of 270.29 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide is sourced from PubChem (CID 106116606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).