2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O — CID 114110936

IUPAC2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(C)(C)C1CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7(9(17)15-6-11(12,13)14)16-10(2,3)8-4-5-8/h7-8,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyJBLGYAABQSVWKS-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.83
Rot. Bonds5

About 2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 114110936) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID114110936
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(C)(C)C1CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7(9(17)15-6-11(12,13)14)16-10(2,3)8-4-5-8/h7-8,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyJBLGYAABQSVWKS-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571452
N-tert-butyl-2-(2-cyclopropylpropan-2-ylamino)propanamide
CID 104577778
2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571393
2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713799
2-(2-cyclopropylpropan-2-ylamino)propanamide
CID 104577813
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574953
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713809
2-[2-(cyclopropylmethoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113233536
2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115581038
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574936

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 114110936) is 2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NC(C)(C)C1CC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JBLGYAABQSVWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7(9(17)15-6-11(12,13)14)16-10(2,3)8-4-5-8/h7-8,16H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 252.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 114110936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).