2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O — CID 115713799

IUPAC2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(C)C1CCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7(9-4-3-5-9)16-8(2)10(17)15-6-11(12,13)14/h7-9,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyHQJUQUAHMPGIMQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.83
Rot. Bonds5

About 2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115713799) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115713799
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(C)C1CCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7(9-4-3-5-9)16-8(2)10(17)15-6-11(12,13)14/h7-9,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyHQJUQUAHMPGIMQ-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-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81393775
2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571393
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574953
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795
2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81388842
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113484799
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81388594
2-(1-cyclopropylethylamino)-N-propylpropanamide
CID 43401278
N-carbamoyl-2-(1-cyclobutylethylamino)propanamide
CID 115766420
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115713799) is 2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NC(C)C1CCC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HQJUQUAHMPGIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7(9-4-3-5-9)16-8(2)10(17)15-6-11(12,13)14/h7-9,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(1-cyclobutylethylamino)-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-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115713799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).