2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide

C16H25NO2 — CID 12833455

IUPAC2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-6-17(7-2)15(19)11-12-8-9-14(18)13(10-12)16(3,4)5/h8-10,18H,6-7,11H2,1-5H3
InChIKeyJLFPBRXUJPULJX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.10
Rot. Bonds4

About 2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide

2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide (PubChem CID 12833455) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide
PubChem CID12833455
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-6-17(7-2)15(19)11-12-8-9-14(18)13(10-12)16(3,4)5/h8-10,18H,6-7,11H2,1-5H3
InChIKeyJLFPBRXUJPULJX-UHFFFAOYSA-N
XLogP3.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide?
The IUPAC name of 2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide (CID 12833455) is 2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide is CCN(CC)C(=O)Cc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide?
The InChIKey is JLFPBRXUJPULJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-17(7-2)15(19)11-12-8-9-14(18)13(10-12)16(3,4)5/h8-10,18H,6-7,11H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide?
2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide has a molecular weight of 263.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-hydroxyphenyl)-N,N-diethylacetamide is sourced from PubChem (CID 12833455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).