(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C16H26N4O3 — CID 138012860

IUPAC(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@H](C(=O)N(C)CCOC)[C@H]1c1nccn1CC
InChIInChI=1S/C16H26N4O3/c1-5-19-8-7-17-15(19)14-12(11-13(21)20(14)6-2)16(22)18(3)9-10-23-4/h7-8,12,14H,5-6,9-11H2,1-4H3/t12-,14-/m0/s1
InChIKeyRFBCSVGTUVUNRB-JSGCOSHPSA-N
MW322.41 g/mol
LogP0.92
Rot. Bonds7

About (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 138012860) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID138012860
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@H](C(=O)N(C)CCOC)[C@H]1c1nccn1CC
InChIInChI=1S/C16H26N4O3/c1-5-19-8-7-17-15(19)14-12(11-13(21)20(14)6-2)16(22)18(3)9-10-23-4/h7-8,12,14H,5-6,9-11H2,1-4H3/t12-,14-/m0/s1
InChIKeyRFBCSVGTUVUNRB-JSGCOSHPSA-N
XLogP0.92
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 138012860) is (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CCN1C(=O)C[C@H](C(=O)N(C)CCOC)[C@H]1c1nccn1CC.
What is the InChIKey of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RFBCSVGTUVUNRB-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-5-19-8-7-17-15(19)14-12(11-13(21)20(14)6-2)16(22)18(3)9-10-23-4/h7-8,12,14H,5-6,9-11H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 138012860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).