N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide

C12H21F3N2O2 — CID 103806546

IUPACN-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCN(C(=O)CCOCC(F)(F)F)C1CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-2-6-17(10-3-5-16-8-10)11(18)4-7-19-9-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyJFLBKBXYJJLQEE-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.56
Rot. Bonds7

About N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide

N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103806546) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103806546
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCN(C(=O)CCOCC(F)(F)F)C1CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-2-6-17(10-3-5-16-8-10)11(18)4-7-19-9-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyJFLBKBXYJJLQEE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide
CID 103206370
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470
3,3,3-trifluoro-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824721
4-cyclopentyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119533250
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
3-(5-methyloxolan-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119531932
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212868
N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209610

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103806546) is N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide is CCCN(C(=O)CCOCC(F)(F)F)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JFLBKBXYJJLQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-6-17(10-3-5-16-8-10)11(18)4-7-19-9-12(13,14)15/h10,16H,2-9H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide 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-3-yl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103806546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).