3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide

C10H19F3N2O2 — CID 103864845

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-8(2)14-9(17)3-4-15(5-6-16)7-10(11,12)13/h8,16H,3-7H2,1-2H3,(H,14,17)
InChIKeyMRGCDHCXDUDZAT-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.76
Rot. Bonds7

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide (PubChem CID 103864845) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide
PubChem CID103864845
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-8(2)14-9(17)3-4-15(5-6-16)7-10(11,12)13/h8,16H,3-7H2,1-2H3,(H,14,17)
InChIKeyMRGCDHCXDUDZAT-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

Analyze 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide
CID 10524722
N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 89421101
N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 121359764
N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]propanamide
CID 132250266
ethane;N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
CID 157037330
ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide
CID 157037411
2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide
CID 166119564
2,2-dimethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 169874940
2,2-dimethyl-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]propanamide
CID 169874943
2,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]propanamide
CID 169874944
N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 171073943
ethane;2-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 172270355

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide (CID 103864845) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is MRGCDHCXDUDZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-8(2)14-9(17)3-4-15(5-6-16)7-10(11,12)13/h8,16H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide 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-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 103864845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).