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

C24H41NO3 — CID 68613707

IUPAC2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
SMILESCCCCN(CCCC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
InChIInChI=1S/C24H41NO3/c1-5-9-16-25(17-10-6-2)18-19-27-20-21-28-23(26)24(7-3,8-4)22-14-12-11-13-15-22/h11-15H,5-10,16-21H2,1-4H3
InChIKeyJFGYTMWOBVYIMS-UHFFFAOYSA-N
MW391.60 g/mol
LogP5.21
Rot. Bonds16

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

2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate (PubChem CID 68613707) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is 2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate.

Molecular Properties

Compound Name2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
PubChem CID68613707
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC Name2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
SMILESCCCCN(CCCC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
InChIInChI=1S/C24H41NO3/c1-5-9-16-25(17-10-6-2)18-19-27-20-21-28-23(26)24(7-3,8-4)22-14-12-11-13-15-22/h11-15H,5-10,16-21H2,1-4H3
InChIKeyJFGYTMWOBVYIMS-UHFFFAOYSA-N
XLogP5.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 55.21
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate?
The IUPAC name of 2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate (CID 68613707) is 2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate.
What is the SMILES notation for 2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate?
The canonical SMILES for 2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate is CCCCN(CCCC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.
What is the InChIKey of 2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate?
The InChIKey is JFGYTMWOBVYIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO3/c1-5-9-16-25(17-10-6-2)18-19-27-20-21-28-23(26)24(7-3,8-4)22-14-12-11-13-15-22/h11-15H,5-10,16-21H2,1-4H3.
What are the key properties of 2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate?
2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate has a molecular weight of 391.60 g/mol, XLogP of 5.21, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate is sourced from PubChem (CID 68613707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).