N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C12H21F3N2O2 — CID 54871733

IUPACN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1CCCN1
InChIInChI=1S/C12H21F3N2O2/c1-2-19-8-4-7-17(9-12(13,14)15)11(18)10-5-3-6-16-10/h10,16H,2-9H2,1H3
InChIKeyXKDICNYGJDZRMS-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.56
Rot. Bonds7

About N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 54871733) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID54871733
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1CCCN1
InChIInChI=1S/C12H21F3N2O2/c1-2-19-8-4-7-17(9-12(13,14)15)11(18)10-5-3-6-16-10/h10,16H,2-9H2,1H3
InChIKeyXKDICNYGJDZRMS-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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 54871733) is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)C1CCCN1.
What is the InChIKey of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is XKDICNYGJDZRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-19-8-4-7-17(9-12(13,14)15)11(18)10-5-3-6-16-10/h10,16H,2-9H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide 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-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 54871733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).