N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide

C34H36FNO4 — CID 159681435

About N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide

N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide (PubChem CID 159681435) has the molecular formula C34H36FNO4 and a molecular weight of 541.66 g/mol. Its IUPAC name is N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide
• PubChem CID: 159681435
• Molecular Formula: C34H36FNO4
• Molecular Weight: 541.66 g/mol
• Exact Mass: 541.26
• IUPAC Name: N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide
• SMILES: COc1cc(COc2cc(OCc3cccc(-c4ccccc4)c3C)ccc2CCCCNC(C)=O)ccc1F
• InChI: InChI=1S/C34H36FNO4/c1-24-29(13-9-14-31(24)27-10-5-4-6-11-27)23-39-30-17-16-28(12-7-8-19-36-25(2)37)33(21-30)40-22-26-15-18-32(35)34(20-26)38-3/h4-6,9-11,13-18,20-21H,7-8,12,19,22-23H2,1-3H3,(H,36,37)
• InChIKey: MVGCJWOIYJLIRS-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.66
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide?

The IUPAC name of N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide (CID 159681435) is N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide.

What is the SMILES notation for N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide?

The canonical SMILES for N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide is COc1cc(COc2cc(OCc3cccc(-c4ccccc4)c3C)ccc2CCCCNC(C)=O)ccc1F.

What is the InChIKey of N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide?

The InChIKey is MVGCJWOIYJLIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FNO4/c1-24-29(13-9-14-31(24)27-10-5-4-6-11-27)23-39-30-17-16-28(12-7-8-19-36-25(2)37)33(21-30)40-22-26-15-18-32(35)34(20-26)38-3/h4-6,9-11,13-18,20-21H,7-8,12,19,22-23H2,1-3H3,(H,36,37).

What are the key properties of N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide?

N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide has a molecular weight of 541.66 g/mol, XLogP of 7.43, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(4-fluoro-3-methoxyphenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide is sourced from PubChem (CID 159681435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).