N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide

C52H72N6O9 — CID 57391895

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1
InChIInChI=1S/C52H72N6O9/c1-61-49-11-5-3-9-47(49)57-29-25-55(26-30-57)23-7-21-53-51(59)45-17-13-43(14-18-45)41-66-39-37-64-35-33-63-34-36-65-38-40-67-42-44-15-19-46(20-16-44)52(60)54-22-8-24-56-27-31-58(32-28-56)48-10-4-6-12-50(48)62-2/h3-6,9-20H,7-8,21-42H2,1-2H3,(H,53,59)(H,54,60)
InChIKeyLLJNHDOQJFYFCL-UHFFFAOYSA-N
MW925.18 g/mol
LogP5.37
Rot. Bonds30

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide (PubChem CID 57391895) has the molecular formula C52H72N6O9 and a molecular weight of 925.18 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
PubChem CID57391895
Molecular FormulaC52H72N6O9
Molecular Weight925.18 g/mol
Exact Mass924.54
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1
InChIInChI=1S/C52H72N6O9/c1-61-49-11-5-3-9-47(49)57-29-25-55(26-30-57)23-7-21-53-51(59)45-17-13-43(14-18-45)41-66-39-37-64-35-33-63-34-36-65-38-40-67-42-44-15-19-46(20-16-44)52(60)54-22-8-24-56-27-31-58(32-28-56)48-10-4-6-12-50(48)62-2/h3-6,9-20H,7-8,21-42H2,1-2H3,(H,53,59)(H,54,60)
InChIKeyLLJNHDOQJFYFCL-UHFFFAOYSA-N
XLogP5.37
TPSA135.77 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500925.18
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide (CID 57391895) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide is COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
The InChIKey is LLJNHDOQJFYFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H72N6O9/c1-61-49-11-5-3-9-47(49)57-29-25-55(26-30-57)23-7-21-53-51(59)45-17-13-43(14-18-45)41-66-39-37-64-35-33-63-34-36-65-38-40-67-42-44-15-19-46(20-16-44)52(60)54-22-8-24-56-27-31-58(32-28-56)48-10-4-6-12-50(48)62-2/h3-6,9-20H,7-8,21-42H2,1-2H3,(H,53,59)(H,54,60).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide has a molecular weight of 925.18 g/mol, XLogP of 5.37, 30 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide is sourced from PubChem (CID 57391895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).