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

C22H30N2O2 — CID 24818296

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide
SMILESCC(C)(C)c1cc(CCC(=O)Nc2ccncc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H30N2O2/c1-21(2,3)17-13-15(14-18(20(17)26)22(4,5)6)7-8-19(25)24-16-9-11-23-12-10-16/h9-14,26H,7-8H2,1-6H3,(H,23,24,25)
InChIKeyLEEIXMRIIBARJH-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.95
Rot. Bonds4

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

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide (PubChem CID 24818296) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide
PubChem CID24818296
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide
SMILESCC(C)(C)c1cc(CCC(=O)Nc2ccncc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H30N2O2/c1-21(2,3)17-13-15(14-18(20(17)26)22(4,5)6)7-8-19(25)24-16-9-11-23-12-10-16/h9-14,26H,7-8H2,1-6H3,(H,23,24,25)
InChIKeyLEEIXMRIIBARJH-UHFFFAOYSA-N
XLogP4.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

GR-55562
CID 128018
3-amino-2-(4-hydroxy-3-methylphenyl)-N-isoquinolin-6-ylpropanamide
CID 59563754
(2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 44346002
3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 2965131
2,6-Di-tert-butyl-4-(2-(3-pyridinyl)ethenyl)phenol
CID 6439912
4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide
CID 135335735
2-Hydroxy-5-(pyridin-4-yl)benzamide
CID 135909516
N'-(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)pyridine-4-carbohydrazide
CID 2189542
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4879890
2,6-ditert-butyl-4-[(E)-(1,1-dioxo-2-pyridin-4-yl-1,2-thiazolidin-5-ylidene)methyl]phenol
CID 10597905
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 17540194
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 17543573

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide (CID 24818296) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide is CC(C)(C)c1cc(CCC(=O)Nc2ccncc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide?
The InChIKey is LEEIXMRIIBARJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-21(2,3)17-13-15(14-18(20(17)26)22(4,5)6)7-8-19(25)24-16-9-11-23-12-10-16/h9-14,26H,7-8H2,1-6H3,(H,23,24,25).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide has a molecular weight of 354.49 g/mol, XLogP of 4.95, 4 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-4-ylpropanamide is sourced from PubChem (CID 24818296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).