N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H22F3N3O — CID 78958144

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)N1CCC(CNC(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C12H22F3N3O/c1-9(2)18-4-3-10(7-18)5-17-11(19)6-16-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3,(H,17,19)
InChIKeyDGECXFLVSPEQIJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.98
Rot. Bonds6

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958144) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958144
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)N1CCC(CNC(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C12H22F3N3O/c1-9(2)18-4-3-10(7-18)5-17-11(19)6-16-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3,(H,17,19)
InChIKeyDGECXFLVSPEQIJ-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 61209304
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
2-[(2-methylpropan-2-yl)oxy]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 112605266
3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 131890705
2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 81412153
N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235209
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 107296147
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588258
4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 95589080

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958144) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)N1CCC(CNC(=O)CNCC(F)(F)F)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is DGECXFLVSPEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-9(2)18-4-3-10(7-18)5-17-11(19)6-16-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3,(H,17,19).
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 281.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).