N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H21F3N2O3 — CID 63708246

IUPACN,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O3/c1-19-7-5-17(6-8-20-2)10(18)11(12(13,14)15)3-4-16-9-11/h16H,3-9H2,1-2H3
InChIKeyZPCNVLZFHJJGKL-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.65
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708246) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708246
Molecular FormulaC12H21F3N2O3
Molecular Weight298.30 g/mol
Exact Mass298.15
IUPAC NameN,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O3/c1-19-7-5-17(6-8-20-2)10(18)11(12(13,14)15)3-4-16-9-11/h16H,3-9H2,1-2H3
InChIKeyZPCNVLZFHJJGKL-UHFFFAOYSA-N
XLogP0.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708246) is N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is COCCN(CCOC)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZPCNVLZFHJJGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-19-7-5-17(6-8-20-2)10(18)11(12(13,14)15)3-4-16-9-11/h16H,3-9H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).