2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride

C20H25ClN2O — CID 44662856

IUPAC2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride
SMILESO=C(NCC[NH+]1CCCC1)C(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H24N2O.ClH/c23-20(21-13-16-22-14-7-8-15-22)19(17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16H2,(H,21,23);1H
InChIKeyDURRPOQFSGOCHC-UHFFFAOYSA-N
MW344.89 g/mol
LogP-1.38
Rot. Bonds6

About 2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride

2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride (PubChem CID 44662856) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride.

Molecular Properties

Compound Name2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride
PubChem CID44662856
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride
SMILESO=C(NCC[NH+]1CCCC1)C(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H24N2O.ClH/c23-20(21-13-16-22-14-7-8-15-22)19(17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16H2,(H,21,23);1H
InChIKeyDURRPOQFSGOCHC-UHFFFAOYSA-N
XLogP-1.38
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide
CID 9051562
4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7346826
N-(3-aminopropyl)-2,2-diphenylacetamide
CID 10539859
N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 7443313
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,2-diphenylacetamide
CID 113053537
N-but-3-ynyl-2,2-diphenylacetamide
CID 90537904
N-dodecyl-2,2-diphenylacetamide
CID 5143289
2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid
CID 7209593
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide
CID 2470246
N-(2-morpholin-4-ium-4-ylethyl)-3,3-diphenylpropanamide
CID 6919320
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2,2-diphenylacetamide
CID 113053769
N-[2-[bis(2-phenylacetyl)amino]ethyl]-2,2-diphenylacetamide
CID 22301107

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride?
The IUPAC name of 2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride (CID 44662856) is 2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride.
What is the SMILES notation for 2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride?
The canonical SMILES for 2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride is O=C(NCC[NH+]1CCCC1)C(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride?
The InChIKey is DURRPOQFSGOCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c23-20(21-13-16-22-14-7-8-15-22)19(17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16H2,(H,21,23);1H.
What are the key properties of 2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride?
2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride has a molecular weight of 344.89 g/mol, XLogP of -1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride is sourced from PubChem (CID 44662856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).