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

C27H30N2O — CID 18654449

IUPAC2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCc1ccc(CCN2CC[C@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C27H30N2O/c1-21-12-14-22(15-13-21)16-18-29-19-17-25(20-29)27(26(28)30,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25H,16-20H2,1H3,(H2,28,30)/t25-/m0/s1
InChIKeyASHLRKXMMXYTGL-VWLOTQADSA-N
MW398.55 g/mol
LogP4.33
Rot. Bonds7

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

2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 18654449) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID18654449
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCc1ccc(CCN2CC[C@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C27H30N2O/c1-21-12-14-22(15-13-21)16-18-29-19-17-25(20-29)27(26(28)30,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25H,16-20H2,1H3,(H2,28,30)/t25-/m0/s1
InChIKeyASHLRKXMMXYTGL-VWLOTQADSA-N
XLogP4.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[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-[1-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 20625001
2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11600092

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 18654449) is 2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is Cc1ccc(CCN2CC[C@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of 2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is ASHLRKXMMXYTGL-VWLOTQADSA-N. The full InChI is InChI=1S/C27H30N2O/c1-21-12-14-22(15-13-21)16-18-29-19-17-25(20-29)27(26(28)30,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25H,16-20H2,1H3,(H2,28,30)/t25-/m0/s1.
What are the key properties of 2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 398.55 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 18654449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).