2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O2 — CID 64604847

IUPAC2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCC(C)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(3-4-16-2)13-5-8(15)14-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyIKNRBCOFMXCJGL-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.68
Rot. Bonds7

About 2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 64604847) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID64604847
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCC(C)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(3-4-16-2)13-5-8(15)14-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyIKNRBCOFMXCJGL-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115601463
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492256
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 102698001
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 64605255
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401
2-[bis(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78807325
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81388594
2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 64605664
N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
CID 103776091

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 64604847) is 2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is COCCC(C)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IKNRBCOFMXCJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-7(3-4-16-2)13-5-8(15)14-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 64604847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).