Bis[4-[tert-butyl(methyl)amino]phenyl]methanone

C₂₃H₃₂N₂O — CID 18006656

About Bis[4-[tert-butyl(methyl)amino]phenyl]methanone

Bis[4-[tert-butyl(methyl)amino]phenyl]methanone (PubChem CID 18006656) has the molecular formula C₂₃H₃₂N₂O and a molecular weight of 352.52 g/mol. Its IUPAC name is bis[4-[tert-butyl(methyl)amino]phenyl]methanone.

Molecular Properties

• Compound Name: Bis[4-[tert-butyl(methyl)amino]phenyl]methanone
• PubChem CID: 18006656
• Molecular Formula: C₂₃H₃₂N₂O
• Molecular Weight: 352.52 g/mol
• Exact Mass: 352.25
• IUPAC Name: bis[4-[tert-butyl(methyl)amino]phenyl]methanone
• SMILES: CN(c1ccc(C(=O)c2ccc(N(C)C(C)(C)C)cc2)cc1)C(C)(C)C
• InChI: InChI=1S/C23H32N2O/c1-22(2,3)24(7)19-13-9-17(10-14-19)21(26)18-11-15-20(16-12-18)25(8)23(4,5)6/h9-16H,1-8H3
• InChIKey: ABZMPQZOPLSOGG-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 23.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.52
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Bis[4-[tert-butyl(methyl)amino]phenyl]methanone?

The IUPAC name of Bis[4-[tert-butyl(methyl)amino]phenyl]methanone (CID 18006656) is bis[4-[tert-butyl(methyl)amino]phenyl]methanone.

What is the SMILES notation for Bis[4-[tert-butyl(methyl)amino]phenyl]methanone?

The canonical SMILES for Bis[4-[tert-butyl(methyl)amino]phenyl]methanone is CN(c1ccc(C(=O)c2ccc(N(C)C(C)(C)C)cc2)cc1)C(C)(C)C.

What is the InChIKey of Bis[4-[tert-butyl(methyl)amino]phenyl]methanone?

The InChIKey is ABZMPQZOPLSOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-22(2,3)24(7)19-13-9-17(10-14-19)21(26)18-11-15-20(16-12-18)25(8)23(4,5)6/h9-16H,1-8H3.

What are the key properties of Bis[4-[tert-butyl(methyl)amino]phenyl]methanone?

Bis[4-[tert-butyl(methyl)amino]phenyl]methanone has a molecular weight of 352.52 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Bis[4-[tert-butyl(methyl)amino]phenyl]methanone is sourced from PubChem (CID 18006656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18006656 — identifiers, structure, computed properties (public domain)

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