3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide

C10H19F3N2O2 — CID 55121010

IUPAC3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCNC(C)CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-14-8(2)6-9(17)15(4-5-16)7-10(11,12)13/h8,14,16H,3-7H2,1-2H3
InChIKeyAJCYNDKAZBOLDY-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.76
Rot. Bonds7

About 3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide

3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 55121010) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID55121010
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCNC(C)CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-14-8(2)6-9(17)15(4-5-16)7-10(11,12)13/h8,14,16H,3-7H2,1-2H3
InChIKeyAJCYNDKAZBOLDY-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-(2-hydroxyethyl)-N-propan-2-ylbutanamide
CID 62838618
4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155309
2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107358309
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 107483398
3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide
CID 62837451
N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 62837362
N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103857530
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide
CID 107483448
N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
CID 62837091
3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide
CID 79859181
N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
CID 55138018

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 55121010) is 3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide is CCNC(C)CC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is AJCYNDKAZBOLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-14-8(2)6-9(17)15(4-5-16)7-10(11,12)13/h8,14,16H,3-7H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 256.27 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 55121010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).