N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide

C21H23N3O — CID 112842074

IUPACN-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCC2CCc2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c22-15-18-8-11-19(12-9-18)23-21(25)16-24-14-4-7-20(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,20H,4,7,10,13-14,16H2,(H,23,25)
InChIKeyRBLCBYBTHZZXRZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.59
Rot. Bonds6

About N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide

N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide (PubChem CID 112842074) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
PubChem CID112842074
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCC2CCc2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c22-15-18-8-11-19(12-9-18)23-21(25)16-24-14-4-7-20(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,20H,4,7,10,13-14,16H2,(H,23,25)
InChIKeyRBLCBYBTHZZXRZ-UHFFFAOYSA-N
XLogP3.59
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43183672
N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654596
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61372018
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 9033786
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 124867040
N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 22447957
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 81490451
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 51120174
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide (CID 112842074) is N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide is N#Cc1ccc(NC(=O)CN2CCCC2CCc2ccccc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is RBLCBYBTHZZXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c22-15-18-8-11-19(12-9-18)23-21(25)16-24-14-4-7-20(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,20H,4,7,10,13-14,16H2,(H,23,25).
What are the key properties of N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide?
N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.59, 6 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-(2-phenylethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 112842074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).