2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide

C₁₄H₂₂N₂O₂ — CID 100630589

About 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide

2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide (PubChem CID 100630589) has the molecular formula C₁₄H₂₂N₂O₂ and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide.

Molecular Properties

• Compound Name: 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide
• PubChem CID: 100630589
• Molecular Formula: C₁₄H₂₂N₂O₂
• Molecular Weight: 250.34 g/mol
• Exact Mass: 250.17
• IUPAC Name: 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide
• SMILES: CC(C)Nc1cccc(CNC(=O)C(C)(C)O)c1
• InChI: InChI=1S/C14H22N2O2/c1-10(2)16-12-7-5-6-11(8-12)9-15-13(17)14(3,4)18/h5-8,10,16,18H,9H2,1-4H3,(H,15,17)
• InChIKey: PAMJRWSPPPPOCR-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 61.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.34
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide?

The IUPAC name of 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide (CID 100630589) is 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide.

What is the SMILES notation for 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide?

The canonical SMILES for 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide is CC(C)Nc1cccc(CNC(=O)C(C)(C)O)c1.

What is the InChIKey of 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide?

The InChIKey is PAMJRWSPPPPOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-12-7-5-6-11(8-12)9-15-13(17)14(3,4)18/h5-8,10,16,18H,9H2,1-4H3,(H,15,17).

What are the key properties of 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide?

2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 100630589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 100630589 — identifiers, structure, computed properties (public domain)

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