N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide

C24H25NO2 — CID 44529696

IUPACN-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide
SMILESCC(C)(C)c1ccc(-c2ccccc2CNC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C24H25NO2/c1-24(2,3)20-13-11-17(12-14-20)22-10-5-4-7-19(22)16-25-23(27)18-8-6-9-21(26)15-18/h4-15,26H,16H2,1-3H3,(H,25,27)
InChIKeyWSARICYEDTVKOF-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.29
Rot. Bonds4

About N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide

N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide (PubChem CID 44529696) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide
PubChem CID44529696
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC NameN-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide
SMILESCC(C)(C)c1ccc(-c2ccccc2CNC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C24H25NO2/c1-24(2,3)20-13-11-17(12-14-20)22-10-5-4-7-19(22)16-25-23(27)18-8-6-9-21(26)15-18/h4-15,26H,16H2,1-3H3,(H,25,27)
InChIKeyWSARICYEDTVKOF-UHFFFAOYSA-N
XLogP5.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide?
The IUPAC name of N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide (CID 44529696) is N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide?
The canonical SMILES for N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide is CC(C)(C)c1ccc(-c2ccccc2CNC(=O)c2cccc(O)c2)cc1.
What is the InChIKey of N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide?
The InChIKey is WSARICYEDTVKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-24(2,3)20-13-11-17(12-14-20)22-10-5-4-7-19(22)16-25-23(27)18-8-6-9-21(26)15-18/h4-15,26H,16H2,1-3H3,(H,25,27).
What are the key properties of N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide?
N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide has a molecular weight of 359.47 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylphenyl)phenyl]methyl]-3-hydroxybenzamide is sourced from PubChem (CID 44529696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).