N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

C24H32ClNO3 — CID 19174230

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (PubChem CID 19174230) has the molecular formula C24H32ClNO3 and a molecular weight of 417.98 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
• PubChem CID: 19174230
• Molecular Formula: C24H32ClNO3
• Molecular Weight: 417.98 g/mol
• Exact Mass: 417.21
• IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
• SMILES: COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1
• InChI: InChI=1S/C24H32ClNO3/c1-16-12-20(21(28-7)13-19(16)25)26-22(27)14-29-18-10-8-17(9-11-18)24(5,6)15-23(2,3)4/h8-13H,14-15H2,1-7H3,(H,26,27)
• InChIKey: DFYFYQYIMAWVLV-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.98
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?

The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (CID 19174230) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.

What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?

The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1.

What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?

The InChIKey is DFYFYQYIMAWVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClNO3/c1-16-12-20(21(28-7)13-19(16)25)26-22(27)14-29-18-10-8-17(9-11-18)24(5,6)15-23(2,3)4/h8-13H,14-15H2,1-7H3,(H,26,27).

What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide has a molecular weight of 417.98 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 19174230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).