N-(4-hydroxy-4,4-diphenylbutyl)benzamide

C23H23NO2 — CID 14294620

IUPACN-(4-hydroxy-4,4-diphenylbutyl)benzamide
SMILESO=C(NCCCC(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c25-22(19-11-4-1-5-12-19)24-18-10-17-23(26,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,26H,10,17-18H2,(H,24,25)
InChIKeyGAFNMJOHHVMMMT-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.13
Rot. Bonds7

About N-(4-hydroxy-4,4-diphenylbutyl)benzamide

N-(4-hydroxy-4,4-diphenylbutyl)benzamide (PubChem CID 14294620) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(4-hydroxy-4,4-diphenylbutyl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-4,4-diphenylbutyl)benzamide
PubChem CID14294620
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC NameN-(4-hydroxy-4,4-diphenylbutyl)benzamide
SMILESO=C(NCCCC(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c25-22(19-11-4-1-5-12-19)24-18-10-17-23(26,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,26H,10,17-18H2,(H,24,25)
InChIKeyGAFNMJOHHVMMMT-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4,4-diphenylbutyl)benzamide?
The IUPAC name of N-(4-hydroxy-4,4-diphenylbutyl)benzamide (CID 14294620) is N-(4-hydroxy-4,4-diphenylbutyl)benzamide.
What is the SMILES notation for N-(4-hydroxy-4,4-diphenylbutyl)benzamide?
The canonical SMILES for N-(4-hydroxy-4,4-diphenylbutyl)benzamide is O=C(NCCCC(O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-4,4-diphenylbutyl)benzamide?
The InChIKey is GAFNMJOHHVMMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-22(19-11-4-1-5-12-19)24-18-10-17-23(26,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,26H,10,17-18H2,(H,24,25).
What are the key properties of N-(4-hydroxy-4,4-diphenylbutyl)benzamide?
N-(4-hydroxy-4,4-diphenylbutyl)benzamide has a molecular weight of 345.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4,4-diphenylbutyl)benzamide is sourced from PubChem (CID 14294620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).