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

C28H30N2O2 — CID 18654453

IUPAC2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCC(=O)c1ccc(CCN2CC[C@@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C28H30N2O2/c1-21(31)23-14-12-22(13-15-23)16-18-30-19-17-26(20-30)28(27(29)32,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26H,16-20H2,1H3,(H2,29,32)/t26-/m1/s1
InChIKeyWGNOHUUSDPNABF-AREMUKBSSA-N
MW426.56 g/mol
LogP4.23
Rot. Bonds8

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

2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 18654453) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID18654453
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCC(=O)c1ccc(CCN2CC[C@@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C28H30N2O2/c1-21(31)23-14-12-22(13-15-23)16-18-30-19-17-26(20-30)28(27(29)32,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26H,16-20H2,1H3,(H2,29,32)/t26-/m1/s1
InChIKeyWGNOHUUSDPNABF-AREMUKBSSA-N
XLogP4.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.23
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
methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate
CID 54263266
2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 19007315
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
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-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 69036123
2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 19746811
7-[4-[2-[3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]phenoxy]heptanoic acid
CID 20625236
2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11600092
2-[1-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 20625001

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 18654453) is 2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is CC(=O)c1ccc(CCN2CC[C@@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of 2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is WGNOHUUSDPNABF-AREMUKBSSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-21(31)23-14-12-22(13-15-23)16-18-30-19-17-26(20-30)28(27(29)32,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26H,16-20H2,1H3,(H2,29,32)/t26-/m1/s1.
What are the key properties of 2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 426.56 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 18654453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).