1-(diethylamino)ethyl 2,2-diphenylacetate

C20H25NO2 — CID 23615531

IUPAC1-(diethylamino)ethyl 2,2-diphenylacetate
SMILESCCN(CC)C(C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-4-21(5-2)16(3)23-20(22)19(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,19H,4-5H2,1-3H3
InChIKeyYOQCKCKQEXIABD-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.05
Rot. Bonds7

About 1-(diethylamino)ethyl 2,2-diphenylacetate

1-(diethylamino)ethyl 2,2-diphenylacetate (PubChem CID 23615531) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(diethylamino)ethyl 2,2-diphenylacetate.

Molecular Properties

Compound Name1-(diethylamino)ethyl 2,2-diphenylacetate
PubChem CID23615531
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-(diethylamino)ethyl 2,2-diphenylacetate
SMILESCCN(CC)C(C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-4-21(5-2)16(3)23-20(22)19(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,19H,4-5H2,1-3H3
InChIKeyYOQCKCKQEXIABD-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
1-(diethylamino)ethyl 2-aminobenzoate
CID 174645415
[4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride
CID 54598774
[(2S)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846537
[(2R)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846538
(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid
CID 66664989
2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate
CID 75420449
3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate
CID 141498905
1-piperidin-1-ium-1-ylpropan-2-yl 2,2-diphenylacetate
CID 4683134
[(2S)-1-piperidin-1-ium-1-ylpropan-2-yl] 2,2-diphenylacetate
CID 6956995
[(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate
CID 132941328

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)ethyl 2,2-diphenylacetate?
The IUPAC name of 1-(diethylamino)ethyl 2,2-diphenylacetate (CID 23615531) is 1-(diethylamino)ethyl 2,2-diphenylacetate.
What is the SMILES notation for 1-(diethylamino)ethyl 2,2-diphenylacetate?
The canonical SMILES for 1-(diethylamino)ethyl 2,2-diphenylacetate is CCN(CC)C(C)OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(diethylamino)ethyl 2,2-diphenylacetate?
The InChIKey is YOQCKCKQEXIABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-21(5-2)16(3)23-20(22)19(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,19H,4-5H2,1-3H3.
What are the key properties of 1-(diethylamino)ethyl 2,2-diphenylacetate?
1-(diethylamino)ethyl 2,2-diphenylacetate has a molecular weight of 311.43 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethyl 2,2-diphenylacetate is sourced from PubChem (CID 23615531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).