(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C22H26N2O2 — CID 9393411

IUPAC(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)cc1C
InChIInChI=1S/C22H26N2O2/c1-14(2)17-6-8-19(9-7-17)23-22(26)18-12-21(25)24(13-18)20-10-5-15(3)16(4)11-20/h5-11,14,18H,12-13H2,1-4H3,(H,23,26)/t18-/m0/s1
InChIKeyMENHLAMGGQDXBZ-SFHVURJKSA-N
MW350.46 g/mol
LogP4.42
Rot. Bonds4

About (3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 9393411) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID9393411
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)cc1C
InChIInChI=1S/C22H26N2O2/c1-14(2)17-6-8-19(9-7-17)23-22(26)18-12-21(25)24(13-18)20-10-5-15(3)16(4)11-20/h5-11,14,18H,12-13H2,1-4H3,(H,23,26)/t18-/m0/s1
InChIKeyMENHLAMGGQDXBZ-SFHVURJKSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018282
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 17201834
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113186155
N-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2931278
5-oxo-1-(4-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186713
(3S)-N-(3-acetamidophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438889
(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 92898741
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40964173
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
1-(3,4-dimethylphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 6497658

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 9393411) is (3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)cc1C.
What is the InChIKey of (3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is MENHLAMGGQDXBZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14(2)17-6-8-19(9-7-17)23-22(26)18-12-21(25)24(13-18)20-10-5-15(3)16(4)11-20/h5-11,14,18H,12-13H2,1-4H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 9393411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).