2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate

C20H33NO3 — CID 4619

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IUPAC2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
SMILESCCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
InChIInChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3
InChIKeyIQADUMSPOQKAAO-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.65
Rot. Bonds12

About 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate

2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate (PubChem CID 4619) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
PubChem CID4619
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
SMILESCCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
InChIInChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3
InChIKeyIQADUMSPOQKAAO-UHFFFAOYSA-N
XLogP3.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Caramiphen
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Butetamate
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate?
The IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate (CID 4619) is 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate is CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate?
The InChIKey is IQADUMSPOQKAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate?
2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate has a molecular weight of 335.49 g/mol, XLogP of 3.65, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate is sourced from PubChem (CID 4619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).