N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide

C34H43FN2O6 — CID 59457199

IUPACN-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide
SMILESCOc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCCOc2cccc(F)c2CCNC(C)=O)cc1
InChIInChI=1S/C34H43FN2O6/c1-25(38)37-18-16-30-31(35)8-5-10-33(30)42-21-22-43-34-23-36-17-15-29(34)26-11-13-28(14-12-26)41-20-6-19-40-24-27-7-3-4-9-32(27)39-2/h3-5,7-14,29,34,36H,6,15-24H2,1-2H3,(H,37,38)/t29-,34+/m1/s1
InChIKeyAQUOKOVICWSWEG-SJHOIFEDSA-N
MW594.72 g/mol
LogP5.04
Rot. Bonds17

About N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide

N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide (PubChem CID 59457199) has the molecular formula C34H43FN2O6 and a molecular weight of 594.72 g/mol. Its IUPAC name is N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide
PubChem CID59457199
Molecular FormulaC34H43FN2O6
Molecular Weight594.72 g/mol
Exact Mass594.31
IUPAC NameN-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide
SMILESCOc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCCOc2cccc(F)c2CCNC(C)=O)cc1
InChIInChI=1S/C34H43FN2O6/c1-25(38)37-18-16-30-31(35)8-5-10-33(30)42-21-22-43-34-23-36-17-15-29(34)26-11-13-28(14-12-26)41-20-6-19-40-24-27-7-3-4-9-32(27)39-2/h3-5,7-14,29,34,36H,6,15-24H2,1-2H3,(H,37,38)/t29-,34+/m1/s1
InChIKeyAQUOKOVICWSWEG-SJHOIFEDSA-N
XLogP5.04
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.72
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide (CID 59457199) is N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide is COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCCOc2cccc(F)c2CCNC(C)=O)cc1.
What is the InChIKey of N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide?
The InChIKey is AQUOKOVICWSWEG-SJHOIFEDSA-N. The full InChI is InChI=1S/C34H43FN2O6/c1-25(38)37-18-16-30-31(35)8-5-10-33(30)42-21-22-43-34-23-36-17-15-29(34)26-11-13-28(14-12-26)41-20-6-19-40-24-27-7-3-4-9-32(27)39-2/h3-5,7-14,29,34,36H,6,15-24H2,1-2H3,(H,37,38)/t29-,34+/m1/s1.
What are the key properties of N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide?
N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide has a molecular weight of 594.72 g/mol, XLogP of 5.04, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]acetamide is sourced from PubChem (CID 59457199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).