N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide

C22H22N2O3 — CID 60588539

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)c2ccc(Oc3cccnc3)cc2)c1
InChIInChI=1S/C22H22N2O3/c1-22(2,3)16-8-11-20(25)19(13-16)24-21(26)15-6-9-17(10-7-15)27-18-5-4-12-23-14-18/h4-14,25H,1-3H3,(H,24,26)
InChIKeyQSFRQMIRCYKEIN-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.13
Rot. Bonds4

About N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide

N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide (PubChem CID 60588539) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide
PubChem CID60588539
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)c2ccc(Oc3cccnc3)cc2)c1
InChIInChI=1S/C22H22N2O3/c1-22(2,3)16-8-11-20(25)19(13-16)24-21(26)15-6-9-17(10-7-15)27-18-5-4-12-23-14-18/h4-14,25H,1-3H3,(H,24,26)
InChIKeyQSFRQMIRCYKEIN-UHFFFAOYSA-N
XLogP5.13
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
CID 27672955
N-(2-hydroxy-6-methylphenyl)-4-pyridin-3-yloxybenzamide
CID 122159109
5-methoxy-N-methyl-2-[(4-pyridin-3-yloxybenzoyl)amino]benzamide
CID 167844650
N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
CID 29262316
N-(5-tert-butyl-2-hydroxyphenyl)-3-chloro-4-hydroxybenzamide
CID 29265235
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
4-pyridin-3-yloxybenzoic acid
CID 22261667
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide
CID 139011848
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
CID 47993620
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide (CID 60588539) is N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide is CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(Oc3cccnc3)cc2)c1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide?
The InChIKey is QSFRQMIRCYKEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-22(2,3)16-8-11-20(25)19(13-16)24-21(26)15-6-9-17(10-7-15)27-18-5-4-12-23-14-18/h4-14,25H,1-3H3,(H,24,26).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide?
N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide has a molecular weight of 362.43 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide is sourced from PubChem (CID 60588539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).