(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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Related Compounds

(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7144611
(2R,3R)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 110087321
2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63379341
2-(3-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 56827365
2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid
CID 102560091
(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
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 110087574
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 138012860
(2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110087251
(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51982857
(2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110087157
1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 134005728

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).