3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

C22H25N3O — CID 134024332

IUPAC3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESN#Cc1ccc(CCC(=O)NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C22H25N3O/c23-16-19-10-8-18(9-11-19)12-13-22(26)24-17-21(25-14-4-5-15-25)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-15,17H2,(H,24,26)
InChIKeyKRJGJHQOGNJZJG-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.44
Rot. Bonds7

About 3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 134024332) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
PubChem CID134024332
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESN#Cc1ccc(CCC(=O)NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C22H25N3O/c23-16-19-10-8-18(9-11-19)12-13-22(26)24-17-21(25-14-4-5-15-25)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-15,17H2,(H,24,26)
InChIKeyKRJGJHQOGNJZJG-UHFFFAOYSA-N
XLogP3.44
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
CID 124846032
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N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(1-methylpyrazol-4-yl)propanamide
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N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 42457175
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
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N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
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3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 8798720
3-(1H-indol-3-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51186547
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
CID 92584194
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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (CID 134024332) is 3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is N#Cc1ccc(CCC(=O)NCC(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is KRJGJHQOGNJZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c23-16-19-10-8-18(9-11-19)12-13-22(26)24-17-21(25-14-4-5-15-25)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-15,17H2,(H,24,26).
What are the key properties of 3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 134024332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).