2-(diethylamino)ethyl 2-phenylbutanoate

C16H25NO2 — CID 27368

💊View drug profile → butetamate
IUPAC2-(diethylamino)ethyl 2-phenylbutanoate
SMILESCCC(C(=O)OCCN(CC)CC)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3
InChIKeyCKWHSYRZDLWQFV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.07
Rot. Bonds8

About 2-(diethylamino)ethyl 2-phenylbutanoate

2-(diethylamino)ethyl 2-phenylbutanoate (PubChem CID 27368) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-phenylbutanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-phenylbutanoate
PubChem CID27368
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(diethylamino)ethyl 2-phenylbutanoate
SMILESCCC(C(=O)OCCN(CC)CC)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3
InChIKeyCKWHSYRZDLWQFV-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Piperidolate
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Cyclopentolate Hydrochloride
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Piperidolate Hydrochloride
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CID 4910

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-phenylbutanoate?
The IUPAC name of 2-(diethylamino)ethyl 2-phenylbutanoate (CID 27368) is 2-(diethylamino)ethyl 2-phenylbutanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-phenylbutanoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-phenylbutanoate is CCC(C(=O)OCCN(CC)CC)c1ccccc1.
What is the InChIKey of 2-(diethylamino)ethyl 2-phenylbutanoate?
The InChIKey is CKWHSYRZDLWQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2-phenylbutanoate?
2-(diethylamino)ethyl 2-phenylbutanoate has a molecular weight of 263.38 g/mol, XLogP of 3.07, 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-phenylbutanoate is sourced from PubChem (CID 27368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).