2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide

C10H19F3N2O2 — CID 76895062

IUPAC2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(C)C(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-9(2,3)7(14)8(17)15(4-5-16)6-10(11,12)13/h7,16H,4-6,14H2,1-3H3
InChIKeyPGJRUJDTZWGXJY-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.74
Rot. Bonds4

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

2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 76895062) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID76895062
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(C)C(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-9(2,3)7(14)8(17)15(4-5-16)6-10(11,12)13/h7,16H,4-6,14H2,1-3H3
InChIKeyPGJRUJDTZWGXJY-UHFFFAOYSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 172907235
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CID 170701855
CID 170701855
CID 176828308
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CID 53589039
CID 53589039
CID 54874836
CID 54874836
CID 54874837
CID 54874837
CID 60952810
CID 60952810
CID 60953625
CID 60953625
CID 60953733
CID 60953733
CID 61162806
CID 61162806
CID 61164326
CID 61164326

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 76895062) is 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)(C)C(N)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is PGJRUJDTZWGXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-9(2,3)7(14)8(17)15(4-5-16)6-10(11,12)13/h7,16H,4-6,14H2,1-3H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 256.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 76895062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).