tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate

C29H26N2O4 — CID 58508644

IUPACtert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(-c2cccnc2)ccc1O
InChIInChI=1S/C29H26N2O4/c1-29(2,3)35-28(34)23-13-11-21(19-8-5-4-6-9-19)17-25(23)31-27(33)24-16-20(12-14-26(24)32)22-10-7-15-30-18-22/h4-18,32H,1-3H3,(H,31,33)
InChIKeyDKXOPRIJOKXPSP-UHFFFAOYSA-N
MW466.54 g/mol
LogP6.33
Rot. Bonds5

About tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate

tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate (PubChem CID 58508644) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate.

Molecular Properties

Compound Nametert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate
PubChem CID58508644
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Nametert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(-c2cccnc2)ccc1O
InChIInChI=1S/C29H26N2O4/c1-29(2,3)35-28(34)23-13-11-21(19-8-5-4-6-9-19)17-25(23)31-27(33)24-16-20(12-14-26(24)32)22-10-7-15-30-18-22/h4-18,32H,1-3H3,(H,31,33)
InChIKeyDKXOPRIJOKXPSP-UHFFFAOYSA-N
XLogP6.33
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate
CID 58508599
tert-butyl 2-amino-4-phenylbenzoate;tert-butyl 2-[(2-hydroxy-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoate;tert-butyl 2-[(2-methyl-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoate;2-[(2-hydroxy-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 159182019
tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 58508706
tert-butyl 2-[(5-bromopyridine-2-carbonyl)amino]-4-phenylbenzoate
CID 58508787
tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate
CID 58508662
tert-butyl 2-[(4-chloropyridine-2-carbonyl)amino]-4-phenylbenzoate;tert-butyl 4-phenyl-2-[(4-phenylpyridine-2-carbonyl)amino]benzoate;4-phenyl-2-[(4-phenylpyridine-2-carbonyl)amino]benzoic acid
CID 160517661
tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate
CID 58508424
tert-butyl 4-[2-[4-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylphenyl]carbamoyl]phenyl]ethyl]piperazine-1-carboxylate
CID 58508746
sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate
CID 58508944
1-(2-hydroxy-5-pyridin-3-ylphenyl)ethanone
CID 148842399
N-[5-(furan-2-yl)-2-methylphenyl]-2-hydroxy-5-pyridin-3-ylbenzamide
CID 70668755
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate?
The IUPAC name of tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate (CID 58508644) is tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate.
What is the SMILES notation for tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate?
The canonical SMILES for tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate is CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(-c2cccnc2)ccc1O.
What is the InChIKey of tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate?
The InChIKey is DKXOPRIJOKXPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-29(2,3)35-28(34)23-13-11-21(19-8-5-4-6-9-19)17-25(23)31-27(33)24-16-20(12-14-26(24)32)22-10-7-15-30-18-22/h4-18,32H,1-3H3,(H,31,33).
What are the key properties of tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate?
tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate has a molecular weight of 466.54 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate is sourced from PubChem (CID 58508644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).