N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide

C21H21N3O2 — CID 166541560

IUPACN-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC2CC(=O)N(c3cccc(C#N)c3)C2)c1
InChIInChI=1S/C21H21N3O2/c1-14-6-7-15(2)17(8-14)10-20(25)23-18-11-21(26)24(13-18)19-5-3-4-16(9-19)12-22/h3-9,18H,10-11,13H2,1-2H3,(H,23,25)
InChIKeyIPJNTXSOHYCTQT-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.64
Rot. Bonds4

About N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide

N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 166541560) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide
PubChem CID166541560
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC2CC(=O)N(c3cccc(C#N)c3)C2)c1
InChIInChI=1S/C21H21N3O2/c1-14-6-7-15(2)17(8-14)10-20(25)23-18-11-21(26)24(13-18)19-5-3-4-16(9-19)12-22/h3-9,18H,10-11,13H2,1-2H3,(H,23,25)
InChIKeyIPJNTXSOHYCTQT-UHFFFAOYSA-N
XLogP2.64
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide (CID 166541560) is N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NC2CC(=O)N(c3cccc(C#N)c3)C2)c1.
What is the InChIKey of N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is IPJNTXSOHYCTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-6-7-15(2)17(8-14)10-20(25)23-18-11-21(26)24(13-18)19-5-3-4-16(9-19)12-22/h3-9,18H,10-11,13H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide?
N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 166541560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).