N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide

C16H28F3N3O — CID 75510269

IUPACN-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCN(CC1CCN(C(=O)NC2CCCCC2)C1)CC(F)(F)F
InChIInChI=1S/C16H28F3N3O/c1-2-21(12-16(17,18)19)10-13-8-9-22(11-13)15(23)20-14-6-4-3-5-7-14/h13-14H,2-12H2,1H3,(H,20,23)
InChIKeyYGRJWABHVIIQHO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.23
Rot. Bonds5

About N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide

N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide (PubChem CID 75510269) has the molecular formula C16H28F3N3O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide
PubChem CID75510269
Molecular FormulaC16H28F3N3O
Molecular Weight335.41 g/mol
Exact Mass335.22
IUPAC NameN-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCN(CC1CCN(C(=O)NC2CCCCC2)C1)CC(F)(F)F
InChIInChI=1S/C16H28F3N3O/c1-2-21(12-16(17,18)19)10-13-8-9-22(11-13)15(23)20-14-6-4-3-5-7-14/h13-14H,2-12H2,1H3,(H,20,23)
InChIKeyYGRJWABHVIIQHO-UHFFFAOYSA-N
XLogP3.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide (CID 75510269) is N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide is CCN(CC1CCN(C(=O)NC2CCCCC2)C1)CC(F)(F)F.
What is the InChIKey of N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide?
The InChIKey is YGRJWABHVIIQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O/c1-2-21(12-16(17,18)19)10-13-8-9-22(11-13)15(23)20-14-6-4-3-5-7-14/h13-14H,2-12H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide?
N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75510269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).