3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide

C23H32N2O2 — CID 24538484

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCc2cccnc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H32N2O2/c1-22(2,3)18-12-16(13-19(21(18)27)23(4,5)6)9-10-20(26)25-15-17-8-7-11-24-14-17/h7-8,11-14,27H,9-10,15H2,1-6H3,(H,25,26)
InChIKeyCCULMQASDWFGDJ-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.63
Rot. Bonds5

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 24538484) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID24538484
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCc2cccnc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H32N2O2/c1-22(2,3)18-12-16(13-19(21(18)27)23(4,5)6)9-10-20(26)25-15-17-8-7-11-24-14-17/h7-8,11-14,27H,9-10,15H2,1-6H3,(H,25,26)
InChIKeyCCULMQASDWFGDJ-UHFFFAOYSA-N
XLogP4.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 24538484) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is CC(C)(C)c1cc(CCC(=O)NCc2cccnc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is CCULMQASDWFGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-22(2,3)18-12-16(13-19(21(18)27)23(4,5)6)9-10-20(26)25-15-17-8-7-11-24-14-17/h7-8,11-14,27H,9-10,15H2,1-6H3,(H,25,26).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 368.52 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 24538484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).