N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide

C₁₅H₂₃NO₃ — CID 103895621

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide (PubChem CID 103895621) has the molecular formula C₁₅H₂₃NO₃ and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide.

Molecular Properties

• Compound Name: N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide
• PubChem CID: 103895621
• Molecular Formula: C₁₅H₂₃NO₃
• Molecular Weight: 265.35 g/mol
• Exact Mass: 265.17
• IUPAC Name: N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide
• SMILES: COc1cc(C(=O)NC(C)(C)C(C)(C)O)ccc1C
• InChI: InChI=1S/C15H23NO3/c1-10-7-8-11(9-12(10)19-6)13(17)16-14(2,3)15(4,5)18/h7-9,18H,1-6H3,(H,16,17)
• InChIKey: BYIOAFDCIWDUPT-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.35
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide?

The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide (CID 103895621) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide.

What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide?

The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC(C)(C)C(C)(C)O)ccc1C.

What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide?

The InChIKey is BYIOAFDCIWDUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-7-8-11(9-12(10)19-6)13(17)16-14(2,3)15(4,5)18/h7-9,18H,1-6H3,(H,16,17).

What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide?

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide has a molecular weight of 265.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 103895621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103895621 — identifiers, structure, computed properties (public domain)

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