2-(diethylamino)ethyl 2,2-diphenylacetate

C20H25NO2 — CID 2031

IUPAC2-(diethylamino)ethyl 2,2-diphenylacetate
SMILESCCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKeyJGOAIQNSOGZNBX-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.70
Rot. Bonds8

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

2-(diethylamino)ethyl 2,2-diphenylacetate (PubChem CID 2031) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2,2-diphenylacetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2,2-diphenylacetate
PubChem CID2031
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(diethylamino)ethyl 2,2-diphenylacetate
SMILESCCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKeyJGOAIQNSOGZNBX-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carbetapentane
CID 2562
Meperidine
CID 4058
Benactyzine
CID 9330
Cyclopentolate
CID 2905
Oxyphenonium
CID 5749
Oxeladin
CID 4619
Proadifen Hydrochloride
CID 65341
Piperidolate
CID 4839
Aprofene
CID 71128
Cyclopentolate Hydrochloride
CID 22162
Piperidolate Hydrochloride
CID 8520
Benactyzine Hydrochloride
CID 66448

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2,2-diphenylacetate?
The IUPAC name of 2-(diethylamino)ethyl 2,2-diphenylacetate (CID 2031) is 2-(diethylamino)ethyl 2,2-diphenylacetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2,2-diphenylacetate?
The canonical SMILES for 2-(diethylamino)ethyl 2,2-diphenylacetate is CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)ethyl 2,2-diphenylacetate?
The InChIKey is JGOAIQNSOGZNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2,2-diphenylacetate?
2-(diethylamino)ethyl 2,2-diphenylacetate has a molecular weight of 311.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2,2-diphenylacetate is sourced from PubChem (CID 2031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).