N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C14H23F3N2O — CID 83071498

IUPACN-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(CC(F)(F)F)C(C)C2CC2)CCCN1
InChIInChI=1S/C14H23F3N2O/c1-3-13(7-4-8-18-13)12(20)19(9-14(15,16)17)10(2)11-5-6-11/h10-11,18H,3-9H2,1-2H3
InChIKeySSZRARZKEWLRNU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.71
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 83071498) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID83071498
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC NameN-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(CC(F)(F)F)C(C)C2CC2)CCCN1
InChIInChI=1S/C14H23F3N2O/c1-3-13(7-4-8-18-13)12(20)19(9-14(15,16)17)10(2)11-5-6-11/h10-11,18H,3-9H2,1-2H3
InChIKeySSZRARZKEWLRNU-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 83071498) is N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCC1(C(=O)N(CC(F)(F)F)C(C)C2CC2)CCCN1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is SSZRARZKEWLRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-3-13(7-4-8-18-13)12(20)19(9-14(15,16)17)10(2)11-5-6-11/h10-11,18H,3-9H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83071498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).