3-(diethylamino)propyl 2,2-diphenylacetate

C21H27NO2 — CID 19152

IUPAC3-(diethylamino)propyl 2,2-diphenylacetate
SMILESCCN(CC)CCCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-3-22(4-2)16-11-17-24-21(23)20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,3-4,11,16-17H2,1-2H3
InChIKeySTNOBQQZVRBHSV-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.09
Rot. Bonds9

About 3-(diethylamino)propyl 2,2-diphenylacetate

3-(diethylamino)propyl 2,2-diphenylacetate (PubChem CID 19152) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-(diethylamino)propyl 2,2-diphenylacetate.

Molecular Properties

Compound Name3-(diethylamino)propyl 2,2-diphenylacetate
PubChem CID19152
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name3-(diethylamino)propyl 2,2-diphenylacetate
SMILESCCN(CC)CCCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-3-22(4-2)16-11-17-24-21(23)20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,3-4,11,16-17H2,1-2H3
InChIKeySTNOBQQZVRBHSV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propyl 2,2-diphenylacetate?
The IUPAC name of 3-(diethylamino)propyl 2,2-diphenylacetate (CID 19152) is 3-(diethylamino)propyl 2,2-diphenylacetate.
What is the SMILES notation for 3-(diethylamino)propyl 2,2-diphenylacetate?
The canonical SMILES for 3-(diethylamino)propyl 2,2-diphenylacetate is CCN(CC)CCCOC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(diethylamino)propyl 2,2-diphenylacetate?
The InChIKey is STNOBQQZVRBHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-3-22(4-2)16-11-17-24-21(23)20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,3-4,11,16-17H2,1-2H3.
What are the key properties of 3-(diethylamino)propyl 2,2-diphenylacetate?
3-(diethylamino)propyl 2,2-diphenylacetate 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 3-(diethylamino)propyl 2,2-diphenylacetate is sourced from PubChem (CID 19152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).