(3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C21H24N2O3 — CID 52792137

IUPAC(3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@H](C(=O)NCCc3cccc(O)c3)CC2=O)c1C
InChIInChI=1S/C21H24N2O3/c1-14-5-3-8-19(15(14)2)23-13-17(12-20(23)25)21(26)22-10-9-16-6-4-7-18(24)11-16/h3-8,11,17,24H,9-10,12-13H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyYNJBGFOSZJBCGV-QGZVFWFLSA-N
MW352.43 g/mol
LogP2.72
Rot. Bonds5

About (3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 52792137) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID52792137
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@H](C(=O)NCCc3cccc(O)c3)CC2=O)c1C
InChIInChI=1S/C21H24N2O3/c1-14-5-3-8-19(15(14)2)23-13-17(12-20(23)25)21(26)22-10-9-16-6-4-7-18(24)11-16/h3-8,11,17,24H,9-10,12-13H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyYNJBGFOSZJBCGV-QGZVFWFLSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186297
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
7-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 119227650
1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 17151811
N-[2-(3-chlorophenyl)ethyl]-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186056
(3S)-1-(2,3-dimethylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 35509762
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
5-oxo-N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186747
1-(3,4-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186129
1-(3-chloro-4-methylphenyl)-N-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187806
(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9351066

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 52792137) is (3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2C[C@H](C(=O)NCCc3cccc(O)c3)CC2=O)c1C.
What is the InChIKey of (3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YNJBGFOSZJBCGV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-5-3-8-19(15(14)2)23-13-17(12-20(23)25)21(26)22-10-9-16-6-4-7-18(24)11-16/h3-8,11,17,24H,9-10,12-13H2,1-2H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52792137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).