(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H22N2O3 — CID 97457260

IUPAC(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc([C@H]2[C@H](C(=O)NCc3ccc(C)o3)CC(=O)N2C)cc1
InChIInChI=1S/C19H22N2O3/c1-12-4-7-14(8-5-12)18-16(10-17(22)21(18)3)19(23)20-11-15-9-6-13(2)24-15/h4-9,16,18H,10-11H2,1-3H3,(H,20,23)/t16-,18+/m1/s1
InChIKeyCKTSGVBGFNFYJH-AEFFLSMTSA-N
MW326.40 g/mol
LogP2.73
Rot. Bonds4

About (2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97457260) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97457260
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc([C@H]2[C@H](C(=O)NCc3ccc(C)o3)CC(=O)N2C)cc1
InChIInChI=1S/C19H22N2O3/c1-12-4-7-14(8-5-12)18-16(10-17(22)21(18)3)19(23)20-11-15-9-6-13(2)24-15/h4-9,16,18H,10-11H2,1-3H3,(H,20,23)/t16-,18+/m1/s1
InChIKeyCKTSGVBGFNFYJH-AEFFLSMTSA-N
XLogP2.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457190
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 125135854
(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 95740179
(2R,3R)-2-(4-fluorophenyl)-1-methyl-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95740374
(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423
(2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138015692
N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75538140
(2S,3R)-N-[3-(benzimidazol-1-yl)propyl]-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457137
(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
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
(2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29130506

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 97457260) is (2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc([C@H]2[C@H](C(=O)NCc3ccc(C)o3)CC(=O)N2C)cc1.
What is the InChIKey of (2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CKTSGVBGFNFYJH-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-4-7-14(8-5-12)18-16(10-17(22)21(18)3)19(23)20-11-15-9-6-13(2)24-15/h4-9,16,18H,10-11H2,1-3H3,(H,20,23)/t16-,18+/m1/s1.
What are the key properties of (2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97457260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).