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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Related Compounds

2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254986
2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91768696
1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea
CID 166541380
(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 30121276
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547885
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547881
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337
1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513500
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
1-(2,5-dimethylphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544495

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).