N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide

C34H44N2O6 — CID 59457332

About N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide

N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide (PubChem CID 59457332) has the molecular formula C34H44N2O6 and a molecular weight of 576.73 g/mol. Its IUPAC name is N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide
• PubChem CID: 59457332
• Molecular Formula: C34H44N2O6
• Molecular Weight: 576.73 g/mol
• Exact Mass: 576.32
• IUPAC Name: N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide
• SMILES: COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc(C)c(OCCNC(C)=O)c2)cc1
• InChI: InChI=1S/C34H44N2O6/c1-25-9-10-27(21-33(25)41-20-17-36-26(2)37)23-42-34-22-35-16-15-31(34)28-11-13-30(14-12-28)40-19-6-18-39-24-29-7-4-5-8-32(29)38-3/h4-5,7-14,21,31,34-35H,6,15-20,22-24H2,1-3H3,(H,36,37)/t31-,34+/m1/s1
• InChIKey: GFPIDHKOAUYGCZ-FJQKOURKSA-N
• XLogP: 5.17
• TPSA: 87.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.73
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide?

The IUPAC name of N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide (CID 59457332) is N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide.

What is the SMILES notation for N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide?

The canonical SMILES for N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide is COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc(C)c(OCCNC(C)=O)c2)cc1.

What is the InChIKey of N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide?

The InChIKey is GFPIDHKOAUYGCZ-FJQKOURKSA-N. The full InChI is InChI=1S/C34H44N2O6/c1-25-9-10-27(21-33(25)41-20-17-36-26(2)37)23-42-34-22-35-16-15-31(34)28-11-13-30(14-12-28)40-19-6-18-39-24-29-7-4-5-8-32(29)38-3/h4-5,7-14,21,31,34-35H,6,15-20,22-24H2,1-3H3,(H,36,37)/t31-,34+/m1/s1.

What are the key properties of N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide?

N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide has a molecular weight of 576.73 g/mol, XLogP of 5.17, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenoxy]ethyl]acetamide is sourced from PubChem (CID 59457332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).