(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

C18H26N2O4 — CID 110087249

IUPAC(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCOCCN(C)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1
InChIInChI=1S/C18H26N2O4/c1-19(9-11-23-2)18(22)15-13-16(21)20(10-12-24-3)17(15)14-7-5-4-6-8-14/h4-8,15,17H,9-13H2,1-3H3/t15-,17+/m1/s1
InChIKeyIZIHPRDJEQWQLR-WBVHZDCISA-N
MW334.42 g/mol
LogP1.33
Rot. Bonds8

About (2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide (PubChem CID 110087249) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
PubChem CID110087249
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCOCCN(C)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1
InChIInChI=1S/C18H26N2O4/c1-19(9-11-23-2)18(22)15-13-16(21)20(10-12-24-3)17(15)14-7-5-4-6-8-14/h4-8,15,17H,9-13H2,1-3H3/t15-,17+/m1/s1
InChIKeyIZIHPRDJEQWQLR-WBVHZDCISA-N
XLogP1.33
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide (CID 110087249) is (2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide is COCCN(C)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The InChIKey is IZIHPRDJEQWQLR-WBVHZDCISA-N. The full InChI is InChI=1S/C18H26N2O4/c1-19(9-11-23-2)18(22)15-13-16(21)20(10-12-24-3)17(15)14-7-5-4-6-8-14/h4-8,15,17H,9-13H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of (2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110087249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).