(2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide

C17H25F3N4O2 — CID 164630916

IUPAC(2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
SMILESCCN(CCC(F)(F)F)C(=O)[C@H]1CC(=O)N(CC)[C@@H]1c1nccn1CC
InChIInChI=1S/C17H25F3N4O2/c1-4-22-10-8-21-15(22)14-12(11-13(25)24(14)6-3)16(26)23(5-2)9-7-17(18,19)20/h8,10,12,14H,4-7,9,11H2,1-3H3/t12-,14-/m0/s1
InChIKeyFFSOJUCJEDLSMI-JSGCOSHPSA-N
MW374.41 g/mol
LogP2.61
Rot. Bonds7

About (2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide

(2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide (PubChem CID 164630916) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is (2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
PubChem CID164630916
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name(2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
SMILESCCN(CCC(F)(F)F)C(=O)[C@H]1CC(=O)N(CC)[C@@H]1c1nccn1CC
InChIInChI=1S/C17H25F3N4O2/c1-4-22-10-8-21-15(22)14-12(11-13(25)24(14)6-3)16(26)23(5-2)9-7-17(18,19)20/h8,10,12,14H,4-7,9,11H2,1-3H3/t12-,14-/m0/s1
InChIKeyFFSOJUCJEDLSMI-JSGCOSHPSA-N
XLogP2.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide (CID 164630916) is (2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide is CCN(CCC(F)(F)F)C(=O)[C@H]1CC(=O)N(CC)[C@@H]1c1nccn1CC.
What is the InChIKey of (2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide?
The InChIKey is FFSOJUCJEDLSMI-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-4-22-10-8-21-15(22)14-12(11-13(25)24(14)6-3)16(26)23(5-2)9-7-17(18,19)20/h8,10,12,14H,4-7,9,11H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide?
(2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,1-diethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 164630916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).