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

C12H21F3N2O2 — CID 93371950

IUPAC(2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)[C@H]1CCCN1
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/t10-/m1/s1
InChIKeyXKDICNYGJDZRMS-SNVBAGLBSA-N
MW282.31 g/mol
LogP1.56
Rot. Bonds7

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

(2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 93371950) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID93371950
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name(2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)[C@H]1CCCN1
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/t10-/m1/s1
InChIKeyXKDICNYGJDZRMS-SNVBAGLBSA-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

N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60947149
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 54871879
(2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide
CID 103809901
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 107067711
N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 104596442
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide
CID 102992833
2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79854442
(2R)-N,N-dipentylpiperidine-2-carboxamide
CID 93372342

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 93371950) is (2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is XKDICNYGJDZRMS-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2R)-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 (2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 93371950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).