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

C19H21NO3 — CID 54390104

IUPAC4-tert-butyl-N-(4-methoxybenzoyl)benzamide
SMILESCOc1ccc(C(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-19(2,3)15-9-5-13(6-10-15)17(21)20-18(22)14-7-11-16(23-4)12-8-14/h5-12H,1-4H3,(H,20,21,22)
InChIKeyVGAGSCVWMRPZOY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.56
Rot. Bonds3

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

4-tert-butyl-N-(4-methoxybenzoyl)benzamide (PubChem CID 54390104) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-methoxybenzoyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-methoxybenzoyl)benzamide
PubChem CID54390104
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-tert-butyl-N-(4-methoxybenzoyl)benzamide
SMILESCOc1ccc(C(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-19(2,3)15-9-5-13(6-10-15)17(21)20-18(22)14-7-11-16(23-4)12-8-14/h5-12H,1-4H3,(H,20,21,22)
InChIKeyVGAGSCVWMRPZOY-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-methoxybenzoyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-methoxybenzoyl)benzamide (CID 54390104) is 4-tert-butyl-N-(4-methoxybenzoyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-methoxybenzoyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-methoxybenzoyl)benzamide is COc1ccc(C(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-methoxybenzoyl)benzamide?
The InChIKey is VGAGSCVWMRPZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(2,3)15-9-5-13(6-10-15)17(21)20-18(22)14-7-11-16(23-4)12-8-14/h5-12H,1-4H3,(H,20,21,22).
What are the key properties of 4-tert-butyl-N-(4-methoxybenzoyl)benzamide?
4-tert-butyl-N-(4-methoxybenzoyl)benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-methoxybenzoyl)benzamide is sourced from PubChem (CID 54390104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).