(3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H28N2O2 — CID 1038967

IUPAC(3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)c1C
InChIInChI=1S/C23H28N2O2/c1-15-7-6-8-20(16(15)2)24-22(27)17-13-21(26)25(14-17)19-11-9-18(10-12-19)23(3,4)5/h6-12,17H,13-14H2,1-5H3,(H,24,27)/t17-/m1/s1
InChIKeyUURQLGQTBWNGFU-QGZVFWFLSA-N
MW364.49 g/mol
LogP4.59
Rot. Bonds3

About (3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1038967) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1038967
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)c1C
InChIInChI=1S/C23H28N2O2/c1-15-7-6-8-20(16(15)2)24-22(27)17-13-21(26)25(14-17)19-11-9-18(10-12-19)23(3,4)5/h6-12,17H,13-14H2,1-5H3,(H,24,27)/t17-/m1/s1
InChIKeyUURQLGQTBWNGFU-QGZVFWFLSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187267
1-(4-tert-butylphenyl)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187278
N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946643
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1233393
1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2932312
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098350
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916553

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 1038967) is (3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)c1C.
What is the InChIKey of (3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UURQLGQTBWNGFU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15-7-6-8-20(16(15)2)24-22(27)17-13-21(26)25(14-17)19-11-9-18(10-12-19)23(3,4)5/h6-12,17H,13-14H2,1-5H3,(H,24,27)/t17-/m1/s1.
What are the key properties of (3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1038967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).