(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate

C22H27NO3 — CID 21682

IUPAC(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate
SMILESCCOC(C(=O)OCC1CCCN1C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-3-26-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)21(24)25-17-20-15-10-16-23(20)2/h4-9,11-14,20H,3,10,15-17H2,1-2H3
InChIKeyTYROIZSRPIPTQK-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.60
Rot. Bonds7

About (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate

(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate (PubChem CID 21682) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate
PubChem CID21682
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate
SMILESCCOC(C(=O)OCC1CCCN1C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-3-26-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)21(24)25-17-20-15-10-16-23(20)2/h4-9,11-14,20H,3,10,15-17H2,1-2H3
InChIKeyTYROIZSRPIPTQK-UHFFFAOYSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate?
The IUPAC name of (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate (CID 21682) is (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate?
The canonical SMILES for (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate is CCOC(C(=O)OCC1CCCN1C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate?
The InChIKey is TYROIZSRPIPTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-26-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)21(24)25-17-20-15-10-16-23(20)2/h4-9,11-14,20H,3,10,15-17H2,1-2H3.
What are the key properties of (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate?
(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate has a molecular weight of 353.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate is sourced from PubChem (CID 21682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).