N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide

C22H26N2O2 — CID 113185321

IUPACN-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC(=O)N(CCCc3ccccc3)C2)c1
InChIInChI=1S/C22H26N2O2/c1-16-11-17(2)13-20(12-16)23-22(26)19-14-21(25)24(15-19)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-13,19H,6,9-10,14-15H2,1-2H3,(H,23,26)
InChIKeyAVOCMTKSHOFWFY-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.72
Rot. Bonds6

About N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide

N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide (PubChem CID 113185321) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
PubChem CID113185321
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC(=O)N(CCCc3ccccc3)C2)c1
InChIInChI=1S/C22H26N2O2/c1-16-11-17(2)13-20(12-16)23-22(26)19-14-21(25)24(15-19)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-13,19H,6,9-10,14-15H2,1-2H3,(H,23,26)
InChIKeyAVOCMTKSHOFWFY-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 26085822
1-[3-(dimethylamino)propyl]-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108800213
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
5-oxo-1-(3-phenylpropyl)-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185328
N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185332
N-(2-methoxyphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185346
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7926641
methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113185364
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185311
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 22051514
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide (CID 113185321) is N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide is Cc1cc(C)cc(NC(=O)C2CC(=O)N(CCCc3ccccc3)C2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is AVOCMTKSHOFWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-11-17(2)13-20(12-16)23-22(26)19-14-21(25)24(15-19)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-13,19H,6,9-10,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide?
N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113185321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).