3-(diethylamino)-3-(4-ethylphenyl)butanoic acid

C16H25NO2 — CID 64527978

IUPAC3-(diethylamino)-3-(4-ethylphenyl)butanoic acid
SMILESCCc1ccc(C(C)(CC(=O)O)N(CC)CC)cc1
InChIInChI=1S/C16H25NO2/c1-5-13-8-10-14(11-9-13)16(4,12-15(18)19)17(6-2)7-3/h8-11H,5-7,12H2,1-4H3,(H,18,19)
InChIKeyWZTUYRCLYAQEPG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.28
Rot. Bonds7

About 3-(diethylamino)-3-(4-ethylphenyl)butanoic acid

3-(diethylamino)-3-(4-ethylphenyl)butanoic acid (PubChem CID 64527978) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(diethylamino)-3-(4-ethylphenyl)butanoic acid.

Molecular Properties

Compound Name3-(diethylamino)-3-(4-ethylphenyl)butanoic acid
PubChem CID64527978
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(diethylamino)-3-(4-ethylphenyl)butanoic acid
SMILESCCc1ccc(C(C)(CC(=O)O)N(CC)CC)cc1
InChIInChI=1S/C16H25NO2/c1-5-13-8-10-14(11-9-13)16(4,12-15(18)19)17(6-2)7-3/h8-11H,5-7,12H2,1-4H3,(H,18,19)
InChIKeyWZTUYRCLYAQEPG-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-(4-ethylphenyl)butanoic acid?
The IUPAC name of 3-(diethylamino)-3-(4-ethylphenyl)butanoic acid (CID 64527978) is 3-(diethylamino)-3-(4-ethylphenyl)butanoic acid.
What is the SMILES notation for 3-(diethylamino)-3-(4-ethylphenyl)butanoic acid?
The canonical SMILES for 3-(diethylamino)-3-(4-ethylphenyl)butanoic acid is CCc1ccc(C(C)(CC(=O)O)N(CC)CC)cc1.
What is the InChIKey of 3-(diethylamino)-3-(4-ethylphenyl)butanoic acid?
The InChIKey is WZTUYRCLYAQEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-13-8-10-14(11-9-13)16(4,12-15(18)19)17(6-2)7-3/h8-11H,5-7,12H2,1-4H3,(H,18,19).
What are the key properties of 3-(diethylamino)-3-(4-ethylphenyl)butanoic acid?
3-(diethylamino)-3-(4-ethylphenyl)butanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-(4-ethylphenyl)butanoic acid is sourced from PubChem (CID 64527978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).