4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

C9H17F3N2O3 — CID 103155309

IUPAC4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-17-7(5-13)4-8(16)14(2-3-15)6-9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyJEVKVMOUXBGBPL-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.27
Rot. Bonds7

About 4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103155309) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103155309
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-17-7(5-13)4-8(16)14(2-3-15)6-9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyJEVKVMOUXBGBPL-UHFFFAOYSA-N
XLogP-0.27
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146
methyl 3-[(4-amino-3-methoxybutanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 103155182
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 120589296
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155176
N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103857530
3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 55121010
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
4-amino-3-methoxy-N,N-bis(2-methoxyethyl)butanamide;hydrochloride
CID 120586450
2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79474134
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybutanamide
CID 103156201
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-methoxybutanamide
CID 103154406
2-(aminomethyl)-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471673

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (CID 103155309) is 4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is COC(CN)CC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is JEVKVMOUXBGBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-17-7(5-13)4-8(16)14(2-3-15)6-9(10,11)12/h7,15H,2-6,13H2,1H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 258.24 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103155309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).