2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide

C20H25N3O — CID 66858006

IUPAC2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESNCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H25N3O/c21-12-14-23-13-11-18(15-23)20(19(22)24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18H,11-15,21H2,(H2,22,24)
InChIKeyKXGWICQIDNUSBB-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.74
Rot. Bonds6

About 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide

2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 66858006) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID66858006
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESNCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H25N3O/c21-12-14-23-13-11-18(15-23)20(19(22)24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18H,11-15,21H2,(H2,22,24)
InChIKeyKXGWICQIDNUSBB-UHFFFAOYSA-N
XLogP1.74
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-(7-oxoheptyl)pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride
CID 87396933
2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11600092
2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654449
2-[(3S)-1-[4-[4-(2-hydroxyethyl)phenyl]butyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66859566
2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654453
2-[1-[2-(4-cyanophenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 19007315
2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 69036123
2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11408589
2-[(3S)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 16755438
methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate
CID 54263266
2-[(3R)-1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11306139
2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11466741

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 66858006) is 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide is NCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is KXGWICQIDNUSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c21-12-14-23-13-11-18(15-23)20(19(22)24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18H,11-15,21H2,(H2,22,24).
What are the key properties of 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide?
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 323.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 66858006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).