3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide

C27H32N2O3 — CID 139945086

IUPAC3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ncccc2OCc2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H32N2O3/c1-26(2,3)20-15-19(16-21(23(20)30)27(4,5)6)25(31)29-24-22(13-10-14-28-24)32-17-18-11-8-7-9-12-18/h7-16,30H,17H2,1-6H3,(H,28,29,31)
InChIKeyZIVPYZBSPGELNE-UHFFFAOYSA-N
MW432.56 g/mol
LogP6.21
Rot. Bonds5

About 3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide

3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide (PubChem CID 139945086) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
PubChem CID139945086
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ncccc2OCc2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H32N2O3/c1-26(2,3)20-15-19(16-21(23(20)30)27(4,5)6)25(31)29-24-22(13-10-14-28-24)32-17-18-11-8-7-9-12-18/h7-16,30H,17H2,1-6H3,(H,28,29,31)
InChIKeyZIVPYZBSPGELNE-UHFFFAOYSA-N
XLogP6.21
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 69070014
4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84559706
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
2-phenoxy-N-(3-phenylmethoxy-2-pyridinyl)propanamide
CID 73441719
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109391
2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
CID 11602993
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398
1-(3-phenylmethoxy-2-pyridinyl)-3-propan-2-ylthiourea
CID 142715572
ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate
CID 139362692
1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea
CID 11674430
3,5-ditert-butyl-N-[2-(dibenzylcarbamoylamino)phenyl]-4-hydroxybenzamide
CID 23370061
3-tert-butyl-2-phenylmethoxypyridine
CID 157173376

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide?
The IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide (CID 139945086) is 3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide.
What is the SMILES notation for 3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide?
The canonical SMILES for 3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide is CC(C)(C)c1cc(C(=O)Nc2ncccc2OCc2ccccc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide?
The InChIKey is ZIVPYZBSPGELNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-26(2,3)20-15-19(16-21(23(20)30)27(4,5)6)25(31)29-24-22(13-10-14-28-24)32-17-18-11-8-7-9-12-18/h7-16,30H,17H2,1-6H3,(H,28,29,31).
What are the key properties of 3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide?
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide has a molecular weight of 432.56 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 139945086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).