1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

C21H24N2O2 — CID 17151811

IUPAC1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(N2CC(C(=O)NCCc3ccccc3)CC2=O)c1
InChIInChI=1S/C21H24N2O2/c1-15-8-9-16(2)19(12-15)23-14-18(13-20(23)24)21(25)22-11-10-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,22,25)
InChIKeyQUBXPDALKBUBSK-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.02
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 17151811) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID17151811
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(N2CC(C(=O)NCCc3ccccc3)CC2=O)c1
InChIInChI=1S/C21H24N2O2/c1-15-8-9-16(2)19(12-15)23-14-18(13-20(23)24)21(25)22-11-10-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,22,25)
InChIKeyQUBXPDALKBUBSK-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxo-N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186747
N-[2-(3-chlorophenyl)ethyl]-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186056
1-(2,5-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 17151802
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85002063
1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 54792505
(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9351066
1-(2-cyanophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113191742
1-(2,5-dimethylphenyl)-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 10126481
methyl (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075686
(3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 52792137
1-(2-fluoro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55606546
1-(2,5-dimethylphenyl)-5-oxo-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17151978

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 17151811) is 1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is Cc1ccc(C)c(N2CC(C(=O)NCCc3ccccc3)CC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is QUBXPDALKBUBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-8-9-16(2)19(12-15)23-14-18(13-20(23)24)21(25)22-11-10-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,22,25).
What are the key properties of 1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 17151811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).