(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

C22H26N2O2 — CID 26085822

IUPAC(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(C)c1
InChIInChI=1S/C22H26N2O2/c1-15-11-16(2)21(17(3)12-15)23-22(26)19-13-20(25)24(14-19)10-9-18-7-5-4-6-8-18/h4-8,11-12,19H,9-10,13-14H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyVXOUOMSUEQINLJ-LJQANCHMSA-N
MW350.46 g/mol
LogP3.64
Rot. Bonds5

About (3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 26085822) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
PubChem CID26085822
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(C)c1
InChIInChI=1S/C22H26N2O2/c1-15-11-16(2)21(17(3)12-15)23-22(26)19-13-20(25)24(14-19)10-9-18-7-5-4-6-8-18/h4-8,11-12,19H,9-10,13-14H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyVXOUOMSUEQINLJ-LJQANCHMSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42998707
N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185321
(3R)-N-(2-fluoro-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93250933
(3R)-N-(4-bromo-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51548209
(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 2604219
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7926641
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185332
N-(2-benzyl-5-methylpyrazol-3-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55551408
(3S)-N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51878899
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 16549275
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (CID 26085822) is (3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(C)c1.
What is the InChIKey of (3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is VXOUOMSUEQINLJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-11-16(2)21(17(3)12-15)23-22(26)19-13-20(25)24(14-19)10-9-18-7-5-4-6-8-18/h4-8,11-12,19H,9-10,13-14H2,1-3H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 26085822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).