N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide

C40H59N3O10 — CID 118247640

IUPACN-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide
SMILESCOCCOCCOCCOCCOCCOCC(=O)N1CCN(C(=O)CCC(=O)CNC(=O)Cc2ccc(CCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C40H59N3O10/c1-48-21-22-49-23-24-50-25-26-51-27-28-52-29-30-53-33-40(47)43-19-17-42(18-20-43)39(46)16-15-37(44)32-41-38(45)31-36-13-11-35(12-14-36)10-6-5-9-34-7-3-2-4-8-34/h2-4,7-8,11-14H,5-6,9-10,15-33H2,1H3,(H,41,45)
InChIKeyARNIPXRNDNOMTJ-UHFFFAOYSA-N
MW741.92 g/mol
LogP2.66
Rot. Bonds29

About N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide

N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide (PubChem CID 118247640) has the molecular formula C40H59N3O10 and a molecular weight of 741.92 g/mol. Its IUPAC name is N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide
PubChem CID118247640
Molecular FormulaC40H59N3O10
Molecular Weight741.92 g/mol
Exact Mass741.42
IUPAC NameN-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide
SMILESCOCCOCCOCCOCCOCCOCC(=O)N1CCN(C(=O)CCC(=O)CNC(=O)Cc2ccc(CCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C40H59N3O10/c1-48-21-22-49-23-24-50-25-26-51-27-28-52-29-30-53-33-40(47)43-19-17-42(18-20-43)39(46)16-15-37(44)32-41-38(45)31-36-13-11-35(12-14-36)10-6-5-9-34-7-3-2-4-8-34/h2-4,7-8,11-14H,5-6,9-10,15-33H2,1H3,(H,41,45)
InChIKeyARNIPXRNDNOMTJ-UHFFFAOYSA-N
XLogP2.66
TPSA142.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500741.92
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide with MolForge

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Related Compounds

[[2-[4-(4-phenylbutyl)phenyl]acetyl]amino] 4-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperazine-1-carboxylate;[[2-[4-(4-phenylbutyl)phenyl]acetyl]amino] 4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]piperazine-1-carboxylate;bis([[2-[4-(4-phenylbutyl)phenyl]acetyl]amino] 4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazine-1-carboxylate)
CID 159680349
[[2-[4-(4-phenylbutyl)phenyl]acetyl]amino] 4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoyl]piperazine-1-carboxylate
CID 118244494
1-[[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide
CID 140681077
tert-butyl 4-(5-phenylpentanoyl)piperazine-1-carboxylate
CID 110312066
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
2-(2-methoxyethoxy)-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 108547727
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 108547755
1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 56805511
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
methyl 2-(7-phenylheptanoylamino)acetate
CID 44563078
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide?
The IUPAC name of N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide (CID 118247640) is N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide.
What is the SMILES notation for N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide?
The canonical SMILES for N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide is COCCOCCOCCOCCOCCOCC(=O)N1CCN(C(=O)CCC(=O)CNC(=O)Cc2ccc(CCCCc3ccccc3)cc2)CC1.
What is the InChIKey of N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide?
The InChIKey is ARNIPXRNDNOMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H59N3O10/c1-48-21-22-49-23-24-50-25-26-51-27-28-52-29-30-53-33-40(47)43-19-17-42(18-20-43)39(46)16-15-37(44)32-41-38(45)31-36-13-11-35(12-14-36)10-6-5-9-34-7-3-2-4-8-34/h2-4,7-8,11-14H,5-6,9-10,15-33H2,1H3,(H,41,45).
What are the key properties of N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide?
N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide has a molecular weight of 741.92 g/mol, XLogP of 2.66, 29 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-2,5-dioxopentyl]-2-[4-(4-phenylbutyl)phenyl]acetamide is sourced from PubChem (CID 118247640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).