N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C12H21F3N2O2 — CID 106610292

IUPACN-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCN(CC1CCCN1)C(=O)COCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-2-6-17(7-10-4-3-5-16-10)11(18)8-19-9-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyLUQGUVSIUMIMSI-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.56
Rot. Bonds7

About N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 106610292) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID106610292
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCN(CC1CCCN1)C(=O)COCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-2-6-17(7-10-4-3-5-16-10)11(18)8-19-9-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyLUQGUVSIUMIMSI-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106608175
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106612458
3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610729
3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106610288
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212161
2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610766
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
N,2-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106610385
2,2-difluoro-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625526
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 106610292) is N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is CCCN(CC1CCCN1)C(=O)COCC(F)(F)F.
What is the InChIKey of N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is LUQGUVSIUMIMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-6-17(7-10-4-3-5-16-10)11(18)8-19-9-12(13,14)15/h10,16H,2-9H2,1H3.
What are the key properties of N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 106610292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).