N-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide

C24H25NO2 — CID 10618464

IUPACN-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide
SMILESCC(C)(C)c1cc(O)cc(-c2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C24H25NO2/c1-24(2,3)21-13-20(14-22(26)15-21)18-9-11-19(12-10-18)23(27)25-16-17-7-5-4-6-8-17/h4-15,26H,16H2,1-3H3,(H,25,27)
InChIKeyGYILJKVKRPIVKD-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.29
Rot. Bonds4

About N-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide

N-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide (PubChem CID 10618464) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide
PubChem CID10618464
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC NameN-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide
SMILESCC(C)(C)c1cc(O)cc(-c2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C24H25NO2/c1-24(2,3)21-13-20(14-22(26)15-21)18-9-11-19(12-10-18)23(27)25-16-17-7-5-4-6-8-17/h4-15,26H,16H2,1-3H3,(H,25,27)
InChIKeyGYILJKVKRPIVKD-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-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide?
The IUPAC name of N-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide (CID 10618464) is N-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide.
What is the SMILES notation for N-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide?
The canonical SMILES for N-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide is CC(C)(C)c1cc(O)cc(-c2ccc(C(=O)NCc3ccccc3)cc2)c1.
What is the InChIKey of N-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide?
The InChIKey is GYILJKVKRPIVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-24(2,3)21-13-20(14-22(26)15-21)18-9-11-19(12-10-18)23(27)25-16-17-7-5-4-6-8-17/h4-15,26H,16H2,1-3H3,(H,25,27).
What are the key properties of N-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide?
N-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide 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-benzyl-4-(3-tert-butyl-5-hydroxyphenyl)benzamide is sourced from PubChem (CID 10618464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).