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

C21H27NO3 — CID 16131

IUPAC2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate
SMILESCCN(CC)CCOC(=O)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-4-22(5-2)16-17-25-20(23)21(24-3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
InChIKeySXKHPSYRYFKZHD-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.46
Rot. Bonds9

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

2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate (PubChem CID 16131) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate
PubChem CID16131
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate
SMILESCCN(CC)CCOC(=O)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-4-22(5-2)16-17-25-20(23)21(24-3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
InChIKeySXKHPSYRYFKZHD-UHFFFAOYSA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate?
The IUPAC name of 2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate (CID 16131) is 2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate is CCN(CC)CCOC(=O)C(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate?
The InChIKey is SXKHPSYRYFKZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-22(5-2)16-17-25-20(23)21(24-3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate?
2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate has a molecular weight of 341.45 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-methoxy-2,2-diphenylacetate is sourced from PubChem (CID 16131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).