N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide

C₁₈H₂₈N₂O₂ — CID 151797393

About N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide

N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide (PubChem CID 151797393) has the molecular formula C₁₈H₂₈N₂O₂ and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide
• PubChem CID: 151797393
• Molecular Formula: C₁₈H₂₈N₂O₂
• Molecular Weight: 304.43 g/mol
• Exact Mass: 304.22
• IUPAC Name: N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide
• SMILES: CCC(C)(C)C(=O)Nc1ccc(C(=O)CC(C)(C)C)cc1N
• InChI: InChI=1S/C18H28N2O2/c1-7-18(5,6)16(22)20-14-9-8-12(10-13(14)19)15(21)11-17(2,3)4/h8-10H,7,11,19H2,1-6H3,(H,20,22)
• InChIKey: RXWRHIARIMBLMH-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 72.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.43
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide?

The IUPAC name of N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide (CID 151797393) is N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide.

What is the SMILES notation for N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide?

The canonical SMILES for N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(C(=O)CC(C)(C)C)cc1N.

What is the InChIKey of N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide?

The InChIKey is RXWRHIARIMBLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-7-18(5,6)16(22)20-14-9-8-12(10-13(14)19)15(21)11-17(2,3)4/h8-10H,7,11,19H2,1-6H3,(H,20,22).

What are the key properties of N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide?

N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide has a molecular weight of 304.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 151797393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151797393 — identifiers, structure, computed properties (public domain)

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