(2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C16H22N2O3 — CID 97457190

IUPAC(2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-4-6-12(7-5-11)15-13(10-14(19)18(15)2)16(20)17-8-9-21-3/h4-7,13,15H,8-10H2,1-3H3,(H,17,20)/t13-,15+/m1/s1
InChIKeyCKSXLUAOOQTJBZ-HIFRSBDPSA-N
MW290.36 g/mol
LogP1.28
Rot. Bonds5

About (2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97457190) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97457190
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-4-6-12(7-5-11)15-13(10-14(19)18(15)2)16(20)17-8-9-21-3/h4-7,13,15H,8-10H2,1-3H3,(H,17,20)/t13-,15+/m1/s1
InChIKeyCKSXLUAOOQTJBZ-HIFRSBDPSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457260
(2S,3R)-N-[3-(benzimidazol-1-yl)propyl]-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457137
methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate
CID 95738407
(2S,3S)-1-methyl-5-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 125431962
(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423
N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75538140
(2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457940
(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457095
(2R,3R)-2-(4-fluorophenyl)-1-methyl-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95740374
2-(4-fluorophenyl)-1-methyl-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 71689623
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 120947049
(4S,5R)-4-(azepane-1-carbonyl)-1-methyl-5-(4-methylphenyl)pyrrolidin-2-one
CID 97457246

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 97457190) is (2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(C)cc1.
What is the InChIKey of (2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CKSXLUAOOQTJBZ-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-4-6-12(7-5-11)15-13(10-14(19)18(15)2)16(20)17-8-9-21-3/h4-7,13,15H,8-10H2,1-3H3,(H,17,20)/t13-,15+/m1/s1.
What are the key properties of (2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97457190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).