2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate

C22H27NO2 — CID 45267220

IUPAC2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate
SMILESCN1CCCC1CCOC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-22(18-10-5-3-6-11-18,19-12-7-4-8-13-19)21(24)25-17-15-20-14-9-16-23(20)2/h3-8,10-13,20H,9,14-17H2,1-2H3
InChIKeyQJNQIEXTHCSKSI-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.02
Rot. Bonds6

About 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate

2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate (PubChem CID 45267220) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate
PubChem CID45267220
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate
SMILESCN1CCCC1CCOC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-22(18-10-5-3-6-11-18,19-12-7-4-8-13-19)21(24)25-17-15-20-14-9-16-23(20)2/h3-8,10-13,20H,9,14-17H2,1-2H3
InChIKeyQJNQIEXTHCSKSI-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
CID 69304203
but-2-enedioic acid;2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
CID 53394933
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
CID 23738695
2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride
CID 44658693
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate
CID 118218591
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
CID 61101138
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
CID 79318601
2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 120596413
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
CID 107913384

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate (CID 45267220) is 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate is CN1CCCC1CCOC(=O)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate?
The InChIKey is QJNQIEXTHCSKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-22(18-10-5-3-6-11-18,19-12-7-4-8-13-19)21(24)25-17-15-20-14-9-16-23(20)2/h3-8,10-13,20H,9,14-17H2,1-2H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate?
2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate has a molecular weight of 337.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate is sourced from PubChem (CID 45267220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).