N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide

C26H26N2O3 — CID 68774064

IUPACN-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccc(O)cc2C(=O)N1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H26N2O3/c1-26(2,3)27-24(30)23-21-14-13-19(29)15-22(21)25(31)28(23)16-18-11-7-8-12-20(18)17-9-5-4-6-10-17/h4-15,23,29H,16H2,1-3H3,(H,27,30)
InChIKeyYJBHWEFKIXILMC-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.67
Rot. Bonds4

About N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide

N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide (PubChem CID 68774064) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
PubChem CID68774064
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccc(O)cc2C(=O)N1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H26N2O3/c1-26(2,3)27-24(30)23-21-14-13-19(29)15-22(21)25(31)28(23)16-18-11-7-8-12-20(18)17-9-5-4-6-10-17/h4-15,23,29H,16H2,1-3H3,(H,27,30)
InChIKeyYJBHWEFKIXILMC-UHFFFAOYSA-N
XLogP4.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide?
The IUPAC name of N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide (CID 68774064) is N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide?
The canonical SMILES for N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide is CC(C)(C)NC(=O)C1c2ccc(O)cc2C(=O)N1Cc1ccccc1-c1ccccc1.
What is the InChIKey of N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide?
The InChIKey is YJBHWEFKIXILMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-26(2,3)27-24(30)23-21-14-13-19(29)15-22(21)25(31)28(23)16-18-11-7-8-12-20(18)17-9-5-4-6-10-17/h4-15,23,29H,16H2,1-3H3,(H,27,30).
What are the key properties of N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide?
N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-hydroxy-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68774064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).