2-(diethylamino)ethyl 3,3-diphenylpropanoate

C21H27NO2 — CID 526545

IUPAC2-(diethylamino)ethyl 3,3-diphenylpropanoate
SMILESCCN(CC)CCOC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-3-22(4-2)15-16-24-21(23)17-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3
InChIKeyASQMSRQTKSSVSW-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.09
Rot. Bonds9

About 2-(diethylamino)ethyl 3,3-diphenylpropanoate

2-(diethylamino)ethyl 3,3-diphenylpropanoate (PubChem CID 526545) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3,3-diphenylpropanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3,3-diphenylpropanoate
PubChem CID526545
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-(diethylamino)ethyl 3,3-diphenylpropanoate
SMILESCCN(CC)CCOC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-3-22(4-2)15-16-24-21(23)17-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3
InChIKeyASQMSRQTKSSVSW-UHFFFAOYSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3,3-diphenylpropanoate?
The IUPAC name of 2-(diethylamino)ethyl 3,3-diphenylpropanoate (CID 526545) is 2-(diethylamino)ethyl 3,3-diphenylpropanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 3,3-diphenylpropanoate?
The canonical SMILES for 2-(diethylamino)ethyl 3,3-diphenylpropanoate is CCN(CC)CCOC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)ethyl 3,3-diphenylpropanoate?
The InChIKey is ASQMSRQTKSSVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-3-22(4-2)15-16-24-21(23)17-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 3,3-diphenylpropanoate?
2-(diethylamino)ethyl 3,3-diphenylpropanoate has a molecular weight of 325.45 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3,3-diphenylpropanoate is sourced from PubChem (CID 526545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).