3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C20H26F3N3O2 — CID 42863889

IUPAC3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESC=CCNC(=O)N1CC(CN2CCOCC2)C(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H26F3N3O2/c1-2-6-24-19(27)26-13-16(12-25-7-9-28-10-8-25)18(14-26)15-4-3-5-17(11-15)20(21,22)23/h2-5,11,16,18H,1,6-10,12-14H2,(H,24,27)
InChIKeyKWTRWSJBHWWJEF-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.95
Rot. Bonds5

About 3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 42863889) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID42863889
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESC=CCNC(=O)N1CC(CN2CCOCC2)C(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H26F3N3O2/c1-2-6-24-19(27)26-13-16(12-25-7-9-28-10-8-25)18(14-26)15-4-3-5-17(11-15)20(21,22)23/h2-5,11,16,18H,1,6-10,12-14H2,(H,24,27)
InChIKeyKWTRWSJBHWWJEF-UHFFFAOYSA-N
XLogP2.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 42863889) is 3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is C=CCNC(=O)N1CC(CN2CCOCC2)C(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is KWTRWSJBHWWJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c1-2-6-24-19(27)26-13-16(12-25-7-9-28-10-8-25)18(14-26)15-4-3-5-17(11-15)20(21,22)23/h2-5,11,16,18H,1,6-10,12-14H2,(H,24,27).
What are the key properties of 3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 42863889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).