N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C15H27F3N2O — CID 63143760

IUPACN-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC(F)(F)F)C(CC)CC)CCNC1
InChIInChI=1S/C15H27F3N2O/c1-4-7-14(8-9-19-10-14)13(21)20(11-15(16,17)18)12(5-2)6-3/h12,19H,4-11H2,1-3H3
InChIKeySGOOKDMRFVGMBZ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.35
Rot. Bonds7

About N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 63143760) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID63143760
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC(F)(F)F)C(CC)CC)CCNC1
InChIInChI=1S/C15H27F3N2O/c1-4-7-14(8-9-19-10-14)13(21)20(11-15(16,17)18)12(5-2)6-3/h12,19H,4-11H2,1-3H3
InChIKeySGOOKDMRFVGMBZ-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 63143760) is N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCCC1(C(=O)N(CC(F)(F)F)C(CC)CC)CCNC1.
What is the InChIKey of N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is SGOOKDMRFVGMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-4-7-14(8-9-19-10-14)13(21)20(11-15(16,17)18)12(5-2)6-3/h12,19H,4-11H2,1-3H3.
What are the key properties of N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63143760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).