2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

C27H27N3O — CID 19007315

IUPAC2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESN#Cc1ccc(CCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C27H27N3O/c28-19-22-13-11-21(12-14-22)15-17-30-18-16-25(20-30)27(26(29)31,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25H,15-18,20H2,(H2,29,31)
InChIKeyMGONKKDUWPPWOE-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.89
Rot. Bonds7

About 2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 19007315) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID19007315
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESN#Cc1ccc(CCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C27H27N3O/c28-19-22-13-11-21(12-14-22)15-17-30-18-16-25(20-30)27(26(29)31,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25H,15-18,20H2,(H2,29,31)
InChIKeyMGONKKDUWPPWOE-UHFFFAOYSA-N
XLogP3.89
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654449
2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654453
methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate
CID 54263266
2-[(3S)-1-[4-[4-(2-hydroxyethyl)phenyl]butyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66859566
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66858006
2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11466741
2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide
CID 11454189
7-[4-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]phenoxy]heptanoic acid
CID 20625236
2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 19746811
2-[1-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 20625001
2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 69036123
2-[1-[2-(2,3-dihydroxy-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 67648461

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 19007315) is 2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is N#Cc1ccc(CCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of 2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is MGONKKDUWPPWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c28-19-22-13-11-21(12-14-22)15-17-30-18-16-25(20-30)27(26(29)31,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25H,15-18,20H2,(H2,29,31).
What are the key properties of 2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 409.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 19007315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).