N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide

C16H19N3O2 — CID 104511824

IUPACN-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
SMILESCC(C)C1CC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H19N3O2/c1-11(2)13-7-16(21)19(9-13)10-15(20)18-14-5-3-12(8-17)4-6-14/h3-6,11,13H,7,9-10H2,1-2H3,(H,18,20)
InChIKeyYFWRFOMTKJGSAT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.00
Rot. Bonds4

About N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide

N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide (PubChem CID 104511824) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
PubChem CID104511824
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
SMILESCC(C)C1CC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H19N3O2/c1-11(2)13-7-16(21)19(9-13)10-15(20)18-14-5-3-12(8-17)4-6-14/h3-6,11,13H,7,9-10H2,1-2H3,(H,18,20)
InChIKeyYFWRFOMTKJGSAT-UHFFFAOYSA-N
XLogP2.00
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide
CID 61238107
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
4-amino-N-(4-cyanophenyl)-3-methylbutanamide
CID 81070999
N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63103199
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
2-(5-amino-4-methyl-2-oxopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 79355559
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 112698282
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490993
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CID 103533438

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide (CID 104511824) is N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide is CC(C)C1CC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1.
What is the InChIKey of N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide?
The InChIKey is YFWRFOMTKJGSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(2)13-7-16(21)19(9-13)10-15(20)18-14-5-3-12(8-17)4-6-14/h3-6,11,13H,7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 104511824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).