(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H22N2O3 — CID 9056213

IUPAC(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1
InChIInChI=1S/C20H22N2O3/c1-13-8-9-17(14(2)10-13)22-12-15(11-19(22)23)20(24)21-16-6-4-5-7-18(16)25-3/h4-10,15H,11-12H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyBPLMWMJPKDCCKX-HNNXBMFYSA-N
MW338.41 g/mol
LogP3.30
Rot. Bonds4

About (3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9056213) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9056213
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1
InChIInChI=1S/C20H22N2O3/c1-13-8-9-17(14(2)10-13)22-12-15(11-19(22)23)20(24)21-16-6-4-5-7-18(16)25-3/h4-10,15H,11-12H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyBPLMWMJPKDCCKX-HNNXBMFYSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46976154
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186079
1-(2,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17152009
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160137
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
(3S)-1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220441
1-(2,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160103
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191304

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9056213) is (3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1.
What is the InChIKey of (3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BPLMWMJPKDCCKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-8-9-17(14(2)10-13)22-12-15(11-19(22)23)20(24)21-16-6-4-5-7-18(16)25-3/h4-10,15H,11-12H2,1-3H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9056213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).