N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H24F3N3O — CID 63708215

IUPACN-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H24F3N3O/c1-3-19(4-2)9-5-7-18-11(20)12(13(14,15)16)6-8-17-10-12/h17H,3-10H2,1-2H3,(H,18,20)
InChIKeyGWVXBSAWULGSBP-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.38
Rot. Bonds7

About N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708215) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708215
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC NameN-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H24F3N3O/c1-3-19(4-2)9-5-7-18-11(20)12(13(14,15)16)6-8-17-10-12/h17H,3-10H2,1-2H3,(H,18,20)
InChIKeyGWVXBSAWULGSBP-UHFFFAOYSA-N
XLogP1.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708215) is N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCN(CC)CCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is GWVXBSAWULGSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-3-19(4-2)9-5-7-18-11(20)12(13(14,15)16)6-8-17-10-12/h17H,3-10H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).