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

C20H22N2O2 — CID 93330491

IUPAC(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCN(c3cccc(C)c3C)C2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-13-7-9-16(10-8-13)21-19(23)17-11-12-22(20(17)24)18-6-4-5-14(2)15(18)3/h4-10,17H,11-12H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyQZDUNLYFFMMXCR-KRWDZBQOSA-N
MW322.41 g/mol
LogP3.60
Rot. Bonds3

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

(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 93330491) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID93330491
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCN(c3cccc(C)c3C)C2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-13-7-9-16(10-8-13)21-19(23)17-11-12-22(20(17)24)18-6-4-5-14(2)15(18)3/h4-10,17H,11-12H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyQZDUNLYFFMMXCR-KRWDZBQOSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 92991057
(3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93331069
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42656575
N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86882791
1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 56517734
1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 112834285
(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 93331482
1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 42863497
(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8712792
1-(2-bromophenyl)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 112834583
(3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 93330677

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 93330491) is (3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCN(c3cccc(C)c3C)C2=O)cc1.
What is the InChIKey of (3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is QZDUNLYFFMMXCR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-7-9-16(10-8-13)21-19(23)17-11-12-22(20(17)24)18-6-4-5-14(2)15(18)3/h4-10,17H,11-12H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93330491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).