N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide

C12H21F3N2O2 — CID 47035768

IUPACN-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C12H21F3N2O2/c1-9(17-5-3-4-6-17)7-16-11(18)10(2)19-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyBMTPNCKDZLENNG-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.55
Rot. Bonds6

About N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 47035768) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID47035768
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C12H21F3N2O2/c1-9(17-5-3-4-6-17)7-16-11(18)10(2)19-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyBMTPNCKDZLENNG-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 47035768) is N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)NCC(C)N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is BMTPNCKDZLENNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(17-5-3-4-6-17)7-16-11(18)10(2)19-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 47035768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).