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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Related Compounds

GR-55562
CID 128018
3-amino-2-(4-hydroxy-3-methylphenyl)-N-isoquinolin-6-ylpropanamide
CID 59563754
4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylcarbamoyl]-phenyl}-pyridine-2-carboxylic acid amide
CID 135404951
3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962267
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide
CID 24818296
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
CA standard inhibitor, 13
CID 131635683
2-((8R,9S,13S,14S,16R)-2-ethyl-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 11339805
acetic acid;(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)-N-[2-[ethyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 14485209
1-[2-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-oxoethyl]-4-[(3-hydroxypropyl)carbamoyl]pyridinium bromide
CID 16196788
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 17540194

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).