2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride

C22H28ClNO3 — CID 44523146

IUPAC2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride
SMILESCOC(C(=O)OCCC1CCCN1C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H27NO3.ClH/c1-23-16-9-14-20(23)15-17-26-21(24)22(25-2,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-13,20H,9,14-17H2,1-2H3;1H
InChIKeyLOHUOYJDZVWZHV-UHFFFAOYSA-N
MW389.92 g/mol
LogP4.03
Rot. Bonds7

About 2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride

2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride (PubChem CID 44523146) has the molecular formula C22H28ClNO3 and a molecular weight of 389.92 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride
PubChem CID44523146
Molecular FormulaC22H28ClNO3
Molecular Weight389.92 g/mol
Exact Mass389.18
IUPAC Name2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride
SMILESCOC(C(=O)OCCC1CCCN1C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H27NO3.ClH/c1-23-16-9-14-20(23)15-17-26-21(24)22(25-2,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-13,20H,9,14-17H2,1-2H3;1H
InChIKeyLOHUOYJDZVWZHV-UHFFFAOYSA-N
XLogP4.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.92
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride (CID 44523146) is 2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride is COC(C(=O)OCCC1CCCN1C)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is LOHUOYJDZVWZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3.ClH/c1-23-16-9-14-20(23)15-17-26-21(24)22(25-2,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-13,20H,9,14-17H2,1-2H3;1H.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride?
2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 389.92 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)ethyl 2-methoxy-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 44523146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).