(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H26N2O2 — CID 2218525

IUPAC(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C22H26N2O2/c1-4-16(3)19-7-5-6-8-20(19)23-22(26)17-13-21(25)24(14-17)18-11-9-15(2)10-12-18/h5-12,16-17H,4,13-14H2,1-3H3,(H,23,26)/t16-,17-/m1/s1
InChIKeyXEDMFSGWJXFPLL-IAGOWNOFSA-N
MW350.46 g/mol
LogP4.50
Rot. Bonds5

About (3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2218525) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2218525
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C22H26N2O2/c1-4-16(3)19-7-5-6-8-20(19)23-22(26)17-13-21(25)24(14-17)18-11-9-15(2)10-12-18/h5-12,16-17H,4,13-14H2,1-3H3,(H,23,26)/t16-,17-/m1/s1
InChIKeyXEDMFSGWJXFPLL-IAGOWNOFSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
(3S)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7337338
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376758
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 7718778
N-(2-butan-2-ylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118726
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
1-(4-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2925121
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364707
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 112789393
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4803088

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2218525) is (3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of (3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XEDMFSGWJXFPLL-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-16(3)19-7-5-6-8-20(19)23-22(26)17-13-21(25)24(14-17)18-11-9-15(2)10-12-18/h5-12,16-17H,4,13-14H2,1-3H3,(H,23,26)/t16-,17-/m1/s1.
What are the key properties of (3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2218525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).