3-tert-butyl-N,N-diethyl-4-hydroxybenzamide

C15H23NO2 — CID 46914571

IUPAC3-tert-butyl-N,N-diethyl-4-hydroxybenzamide
SMILESCCN(CC)C(=O)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-6-16(7-2)14(18)11-8-9-13(17)12(10-11)15(3,4)5/h8-10,17H,6-7H2,1-5H3
InChIKeyFCKIUIHSHBFKFC-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.17
Rot. Bonds3

About 3-tert-butyl-N,N-diethyl-4-hydroxybenzamide

3-tert-butyl-N,N-diethyl-4-hydroxybenzamide (PubChem CID 46914571) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-tert-butyl-N,N-diethyl-4-hydroxybenzamide.

Molecular Properties

Compound Name3-tert-butyl-N,N-diethyl-4-hydroxybenzamide
PubChem CID46914571
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-tert-butyl-N,N-diethyl-4-hydroxybenzamide
SMILESCCN(CC)C(=O)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-6-16(7-2)14(18)11-8-9-13(17)12(10-11)15(3,4)5/h8-10,17H,6-7H2,1-5H3
InChIKeyFCKIUIHSHBFKFC-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N,N-diethyl-4-hydroxybenzamide?
The IUPAC name of 3-tert-butyl-N,N-diethyl-4-hydroxybenzamide (CID 46914571) is 3-tert-butyl-N,N-diethyl-4-hydroxybenzamide.
What is the SMILES notation for 3-tert-butyl-N,N-diethyl-4-hydroxybenzamide?
The canonical SMILES for 3-tert-butyl-N,N-diethyl-4-hydroxybenzamide is CCN(CC)C(=O)c1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-N,N-diethyl-4-hydroxybenzamide?
The InChIKey is FCKIUIHSHBFKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-16(7-2)14(18)11-8-9-13(17)12(10-11)15(3,4)5/h8-10,17H,6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-N,N-diethyl-4-hydroxybenzamide?
3-tert-butyl-N,N-diethyl-4-hydroxybenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,N-diethyl-4-hydroxybenzamide is sourced from PubChem (CID 46914571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).