2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide

C22H25N3O — CID 47019444

IUPAC2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide
SMILESN#CCCN(C(=O)CN1CCCC1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N3O/c23-14-8-16-25(20-11-5-2-6-12-20)22(26)18-24-15-7-13-21(24)17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13,15-18H2
InChIKeyVWKUHQRTFMSTFZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.64
Rot. Bonds7

About 2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide

2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide (PubChem CID 47019444) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide
PubChem CID47019444
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide
SMILESN#CCCN(C(=O)CN1CCCC1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N3O/c23-14-8-16-25(20-11-5-2-6-12-20)22(26)18-24-15-7-13-21(24)17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13,15-18H2
InChIKeyVWKUHQRTFMSTFZ-UHFFFAOYSA-N
XLogP3.64
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-N-phenylacetamide
CID 51728114
N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134001832
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447
1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441928
2-[1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371114
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide
CID 78792864
N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 78789242
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 79159548
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 32663956
1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea
CID 116654007

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide?
The IUPAC name of 2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide (CID 47019444) is 2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide.
What is the SMILES notation for 2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide?
The canonical SMILES for 2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide is N#CCCN(C(=O)CN1CCCC1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide?
The InChIKey is VWKUHQRTFMSTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c23-14-8-16-25(20-11-5-2-6-12-20)22(26)18-24-15-7-13-21(24)17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13,15-18H2.
What are the key properties of 2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide?
2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide has a molecular weight of 347.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide is sourced from PubChem (CID 47019444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).