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

C54H76N6O10 — CID 57390119

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1
InChIInChI=1S/C54H76N6O10/c1-63-51-11-5-3-9-49(51)59-29-25-57(26-30-59)23-7-21-55-53(61)47-17-13-45(14-18-47)43-69-41-39-67-37-35-65-33-34-66-36-38-68-40-42-70-44-46-15-19-48(20-16-46)54(62)56-22-8-24-58-27-31-60(32-28-58)50-10-4-6-12-52(50)64-2/h3-6,9-20H,7-8,21-44H2,1-2H3,(H,55,61)(H,56,62)
InChIKeyOBFPDOMCBFUMBH-UHFFFAOYSA-N
MW969.23 g/mol
LogP5.39
Rot. Bonds33

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

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide (PubChem CID 57390119) has the molecular formula C54H76N6O10 and a molecular weight of 969.23 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
PubChem CID57390119
Molecular FormulaC54H76N6O10
Molecular Weight969.23 g/mol
Exact Mass968.56
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1
InChIInChI=1S/C54H76N6O10/c1-63-51-11-5-3-9-49(51)59-29-25-57(26-30-59)23-7-21-55-53(61)47-17-13-45(14-18-47)43-69-41-39-67-37-35-65-33-34-66-36-38-68-40-42-70-44-46-15-19-48(20-16-46)54(62)56-22-8-24-58-27-31-60(32-28-58)50-10-4-6-12-52(50)64-2/h3-6,9-20H,7-8,21-44H2,1-2H3,(H,55,61)(H,56,62)
InChIKeyOBFPDOMCBFUMBH-UHFFFAOYSA-N
XLogP5.39
TPSA145.00 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.23
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]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-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide (CID 57390119) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]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-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide is COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(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-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
The InChIKey is OBFPDOMCBFUMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H76N6O10/c1-63-51-11-5-3-9-49(51)59-29-25-57(26-30-59)23-7-21-55-53(61)47-17-13-45(14-18-47)43-69-41-39-67-37-35-65-33-34-66-36-38-68-40-42-70-44-46-15-19-48(20-16-46)54(62)56-22-8-24-58-27-31-60(32-28-58)50-10-4-6-12-52(50)64-2/h3-6,9-20H,7-8,21-44H2,1-2H3,(H,55,61)(H,56,62).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide has a molecular weight of 969.23 g/mol, XLogP of 5.39, 33 rotatable bonds, 2 hydrogen bond donors, and 14 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-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide is sourced from PubChem (CID 57390119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).