pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride

C22H22ClNO3 — CID 3038985

IUPACpyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCc1ccccn1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H21NO3.ClH/c1-2-26-22(18-11-5-3-6-12-18,19-13-7-4-8-14-19)21(24)25-17-20-15-9-10-16-23-20;/h3-16H,2,17H2,1H3;1H
InChIKeyDNXWPLDTINUVNU-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.53
Rot. Bonds7

About pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride

pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride (PubChem CID 3038985) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
PubChem CID3038985
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Namepyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCc1ccccn1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H21NO3.ClH/c1-2-26-22(18-11-5-3-6-12-18,19-13-7-4-8-14-19)21(24)25-17-20-15-9-10-16-23-20;/h3-16H,2,17H2,1H3;1H
InChIKeyDNXWPLDTINUVNU-UHFFFAOYSA-N
XLogP4.53
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The IUPAC name of pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride (CID 3038985) is pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride is CCOC(C(=O)OCc1ccccn1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is DNXWPLDTINUVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3.ClH/c1-2-26-22(18-11-5-3-6-12-18,19-13-7-4-8-14-19)21(24)25-17-20-15-9-10-16-23-20;/h3-16H,2,17H2,1H3;1H.
What are the key properties of pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 3038985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).