3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide

C21H28N2O2 — CID 87590949

IUPAC3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide
SMILESCN(C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccn1
InChIInChI=1S/C21H28N2O2/c1-20(2,3)15-12-14(13-16(18(15)24)21(4,5)6)19(25)23(7)17-10-8-9-11-22-17/h8-13,24H,1-7H3
InChIKeyGBNLFAZHQHZVQX-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.66
Rot. Bonds2

About 3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide

3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide (PubChem CID 87590949) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide
PubChem CID87590949
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide
SMILESCN(C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccn1
InChIInChI=1S/C21H28N2O2/c1-20(2,3)15-12-14(13-16(18(15)24)21(4,5)6)19(25)23(7)17-10-8-9-11-22-17/h8-13,24H,1-7H3
InChIKeyGBNLFAZHQHZVQX-UHFFFAOYSA-N
XLogP4.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide (CID 87590949) is 3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide is CN(C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccn1.
What is the InChIKey of 3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide?
The InChIKey is GBNLFAZHQHZVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-20(2,3)15-12-14(13-16(18(15)24)21(4,5)6)19(25)23(7)17-10-8-9-11-22-17/h8-13,24H,1-7H3.
What are the key properties of 3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide?
3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide has a molecular weight of 340.47 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 87590949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).