N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide

C35H49N3O6 — CID 159463012

About N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide

N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide (PubChem CID 159463012) has the molecular formula C35H49N3O6 and a molecular weight of 607.79 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide.

Molecular Properties

• Compound Name: N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide
• PubChem CID: 159463012
• Molecular Formula: C35H49N3O6
• Molecular Weight: 607.79 g/mol
• Exact Mass: 607.36
• IUPAC Name: N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide
• SMILES: CNC(=O)CCCOc1ccc(C)cc1.CNC(=O)COCCc1ccc(C)cc1.CNC(=O)COCc1ccc(C)cc1
• InChI: InChI=1S/2C12H17NO2.C11H15NO2/c1-10-3-5-11(6-4-10)7-8-15-9-12(14)13-2;1-10-5-7-11(8-6-10)15-9-3-4-12(14)13-2;1-9-3-5-10(6-4-9)7-14-8-11(13)12-2/h3-6H,7-9H2,1-2H3,(H,13,14);5-8H,3-4,9H2,1-2H3,(H,13,14);3-6H,7-8H2,1-2H3,(H,12,13)
• InChIKey: LUVBJMSROURMLU-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 114.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.79
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide?

The IUPAC name of N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide (CID 159463012) is N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide.

What is the SMILES notation for N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide?

The canonical SMILES for N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide is CNC(=O)CCCOc1ccc(C)cc1.CNC(=O)COCCc1ccc(C)cc1.CNC(=O)COCc1ccc(C)cc1.

What is the InChIKey of N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide?

The InChIKey is LUVBJMSROURMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17NO2.C11H15NO2/c1-10-3-5-11(6-4-10)7-8-15-9-12(14)13-2;1-10-5-7-11(8-6-10)15-9-3-4-12(14)13-2;1-9-3-5-10(6-4-9)7-14-8-11(13)12-2/h3-6H,7-9H2,1-2H3,(H,13,14);5-8H,3-4,9H2,1-2H3,(H,13,14);3-6H,7-8H2,1-2H3,(H,12,13).

What are the key properties of N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide?

N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide has a molecular weight of 607.79 g/mol, XLogP of 4.46, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide is sourced from PubChem (CID 159463012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).