2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide

C9H17F3N2O2 — CID 79811655

IUPAC2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCOCC(C)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-4-16-5-6(2)14-7(15)8(3,13)9(10,11)12/h6H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyWPCXCGFETXBMBN-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.81
Rot. Bonds5

About 2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79811655) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79811655
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCOCC(C)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-4-16-5-6(2)14-7(15)8(3,13)9(10,11)12/h6H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyWPCXCGFETXBMBN-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
2-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)-2-methylpropanamide
CID 57700716
2-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700797
2,2,2-trifluoro-N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]acetamide
CID 58007240
2-[[(2R)-2-aminopropanoyl]amino]ethyl 2,2,2-trifluoroacetate
CID 89421100
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
Ethyl 2-[[2-(tert-butylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetate
CID 122625182
N-[1-[2-[(2-fluoroacetyl)amino]propoxy]propan-2-yl]carbamoyl fluoride
CID 131979484
2-methyl-N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide
CID 132224641
Ethyl 2-[[2-(tert-butylamino)acetyl]-(1,2,2-trifluoroethyl)amino]acetate
CID 134229631
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide
CID 155439391
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide
CID 155459713

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 79811655) is 2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide is CCOCC(C)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is WPCXCGFETXBMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-4-16-5-6(2)14-7(15)8(3,13)9(10,11)12/h6H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 242.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethoxypropan-2-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79811655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).