(2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide

C20H27N5O3 — CID 110087426

IUPAC(2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](C(=O)NCCn2nc(C)nc2C)[C@@H]1c1ccccc1
InChIInChI=1S/C20H27N5O3/c1-14-22-15(2)25(23-14)10-9-21-20(27)17-13-18(26)24(11-12-28-3)19(17)16-7-5-4-6-8-16/h4-8,17,19H,9-13H2,1-3H3,(H,21,27)/t17-,19+/m1/s1
InChIKeyANDYXBLEBCIUAI-MJGOQNOKSA-N
MW385.47 g/mol
LogP1.25
Rot. Bonds8

About (2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide

(2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide (PubChem CID 110087426) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is (2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
PubChem CID110087426
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name(2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](C(=O)NCCn2nc(C)nc2C)[C@@H]1c1ccccc1
InChIInChI=1S/C20H27N5O3/c1-14-22-15(2)25(23-14)10-9-21-20(27)17-13-18(26)24(11-12-28-3)19(17)16-7-5-4-6-8-16/h4-8,17,19H,9-13H2,1-3H3,(H,21,27)/t17-,19+/m1/s1
InChIKeyANDYXBLEBCIUAI-MJGOQNOKSA-N
XLogP1.25
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide (CID 110087426) is (2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide is COCCN1C(=O)C[C@@H](C(=O)NCCn2nc(C)nc2C)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The InChIKey is ANDYXBLEBCIUAI-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14-22-15(2)25(23-14)10-9-21-20(27)17-13-18(26)24(11-12-28-3)19(17)16-7-5-4-6-8-16/h4-8,17,19H,9-13H2,1-3H3,(H,21,27)/t17-,19+/m1/s1.
What are the key properties of (2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide?
(2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110087426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).