3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide

C24H34N2O2 — CID 4879890

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCc2ccccn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O2/c1-23(2,3)19-15-17(16-20(22(19)28)24(4,5)6)10-11-21(27)26-14-12-18-9-7-8-13-25-18/h7-9,13,15-16,28H,10-12,14H2,1-6H3,(H,26,27)
InChIKeyBVJIMNAARFZIAF-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.67
Rot. Bonds6

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 4879890) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID4879890
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCc2ccccn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O2/c1-23(2,3)19-15-17(16-20(22(19)28)24(4,5)6)10-11-21(27)26-14-12-18-9-7-8-13-25-18/h7-9,13,15-16,28H,10-12,14H2,1-6H3,(H,26,27)
InChIKeyBVJIMNAARFZIAF-UHFFFAOYSA-N
XLogP4.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.67
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-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide (CID 4879890) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide is CC(C)(C)c1cc(CCC(=O)NCCc2ccccn2)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is BVJIMNAARFZIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-23(2,3)19-15-17(16-20(22(19)28)24(4,5)6)10-11-21(27)26-14-12-18-9-7-8-13-25-18/h7-9,13,15-16,28H,10-12,14H2,1-6H3,(H,26,27).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 382.55 g/mol, XLogP of 4.67, 6 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-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 4879890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).