2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate

C20H25NO3 — CID 9330

IUPAC2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
SMILESCCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3
InChIKeyIVQOFBKHQCTVQV-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.81
Rot. Bonds8

About 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate

2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 9330) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
PubChem CID9330
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
SMILESCCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3
InChIKeyIVQOFBKHQCTVQV-UHFFFAOYSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Glycopyrrolate
CID 11693
3-Quinuclidinyl benzilate
CID 23056
Glycopyrronium
CID 3494
Oxybutynin
CID 4634
Adiphenine
CID 2031
Oxybutynin Hydrochloride
CID 91505
Mepenzolate
CID 4057
Oxyphenonium
CID 5749
Clidinium
CID 2784
Oxyphencyclimine
CID 4642
Oxyphenonium Bromide
CID 5748
Clidinium Bromide
CID 19004

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate (CID 9330) is 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate is CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is IVQOFBKHQCTVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate?
2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 327.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 9330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).