N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

C16H19N3O2 — CID 113134658

IUPACN-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCC1)c1ccccc1C#N
InChIInChI=1S/C16H19N3O2/c1-13(20)19(15-7-3-2-6-14(15)12-17)11-8-16(21)18-9-4-5-10-18/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyQLTDHQIPHPJHCZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.92
Rot. Bonds4

About N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 113134658) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID113134658
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCC1)c1ccccc1C#N
InChIInChI=1S/C16H19N3O2/c1-13(20)19(15-7-3-2-6-14(15)12-17)11-8-16(21)18-9-4-5-10-18/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyQLTDHQIPHPJHCZ-UHFFFAOYSA-N
XLogP1.92
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113134705
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
N-(2-ethoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113129221
methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 113131207
N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113124813
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019
3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113134668
N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113180707
N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide
CID 113130850
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide
CID 113135398
N-(2,4-difluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113133399
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-cyanophenyl)acetamide
CID 113135032

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (CID 113134658) is N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is CC(=O)N(CCC(=O)N1CCCC1)c1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is QLTDHQIPHPJHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-13(20)19(15-7-3-2-6-14(15)12-17)11-8-16(21)18-9-4-5-10-18/h2-3,6-7H,4-5,8-11H2,1H3.
What are the key properties of N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 113134658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).