2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide

C16H25NO2 — CID 19417388

IUPAC2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1cc(CC(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H25NO2/c1-15(2,3)11-7-10(9-13(17)18)8-12(14(11)19)16(4,5)6/h7-8,19H,9H2,1-6H3,(H2,17,18)
InChIKeyJXVHZPMABSMEAT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.02
Rot. Bonds2

About 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide

2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide (PubChem CID 19417388) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
PubChem CID19417388
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1cc(CC(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H25NO2/c1-15(2,3)11-7-10(9-13(17)18)8-12(14(11)19)16(4,5)6/h7-8,19H,9H2,1-6H3,(H2,17,18)
InChIKeyJXVHZPMABSMEAT-UHFFFAOYSA-N
XLogP3.02
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide (CID 19417388) is 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide is CC(C)(C)c1cc(CC(N)=O)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
The InChIKey is JXVHZPMABSMEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,3)11-7-10(9-13(17)18)8-12(14(11)19)16(4,5)6/h7-8,19H,9H2,1-6H3,(H2,17,18).
What are the key properties of 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 19417388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).