4-tert-butyl-N-(4-phenoxyphenyl)benzamide

C23H23NO2 — CID 675709

IUPAC4-tert-butyl-N-(4-phenoxyphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO2/c1-23(2,3)18-11-9-17(10-12-18)22(25)24-19-13-15-21(16-14-19)26-20-7-5-4-6-8-20/h4-16H,1-3H3,(H,24,25)
InChIKeyRDGPCRBQMZKLTG-UHFFFAOYSA-N
MW345.44 g/mol
LogP6.03
Rot. Bonds4

About 4-tert-butyl-N-(4-phenoxyphenyl)benzamide

4-tert-butyl-N-(4-phenoxyphenyl)benzamide (PubChem CID 675709) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-phenoxyphenyl)benzamide
PubChem CID675709
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name4-tert-butyl-N-(4-phenoxyphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO2/c1-23(2,3)18-11-9-17(10-12-18)22(25)24-19-13-15-21(16-14-19)26-20-7-5-4-6-8-20/h4-16H,1-3H3,(H,24,25)
InChIKeyRDGPCRBQMZKLTG-UHFFFAOYSA-N
XLogP6.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide
CID 19577181
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
CID 142594929
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350
3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide
CID 4507863
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-phenoxyphenyl)benzamide (CID 675709) is 4-tert-butyl-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-phenoxyphenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-phenoxyphenyl)benzamide?
The InChIKey is RDGPCRBQMZKLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-23(2,3)18-11-9-17(10-12-18)22(25)24-19-13-15-21(16-14-19)26-20-7-5-4-6-8-20/h4-16H,1-3H3,(H,24,25).
What are the key properties of 4-tert-butyl-N-(4-phenoxyphenyl)benzamide?
4-tert-butyl-N-(4-phenoxyphenyl)benzamide has a molecular weight of 345.44 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 675709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).