25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide

C58H122N8O5 — CID 59301941

IUPAC25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide
SMILESCNCCCNCCCCNCC(CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCOCCOCCOC)CNCCCCNCCCNC
InChIInChI=1S/C58H122N8O5/c1-59-39-34-45-61-41-30-32-43-63-54-56(55-64-44-33-31-42-62-46-35-40-60-2)36-26-23-25-29-47-65-57(67)37-27-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-24-28-48-66-58(68)38-49-70-52-53-71-51-50-69-3/h56,59-64H,4-55H2,1-3H3,(H,65,67)(H,66,68)
InChIKeyGYWDBGYXMVVFFN-UHFFFAOYSA-N
MW1011.66 g/mol
LogP9.97
Rot. Bonds63

About 25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide

25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide (PubChem CID 59301941) has the molecular formula C58H122N8O5 and a molecular weight of 1011.66 g/mol. Its IUPAC name is 25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide.

Molecular Properties

Compound Name25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide
PubChem CID59301941
Molecular FormulaC58H122N8O5
Molecular Weight1011.66 g/mol
Exact Mass1010.95
IUPAC Name25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide
SMILESCNCCCNCCCCNCC(CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCOCCOCCOC)CNCCCCNCCCNC
InChIInChI=1S/C58H122N8O5/c1-59-39-34-45-61-41-30-32-43-63-54-56(55-64-44-33-31-42-62-46-35-40-60-2)36-26-23-25-29-47-65-57(67)37-27-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-24-28-48-66-58(68)38-49-70-52-53-71-51-50-69-3/h56,59-64H,4-55H2,1-3H3,(H,65,67)(H,66,68)
InChIKeyGYWDBGYXMVVFFN-UHFFFAOYSA-N
XLogP9.97
TPSA158.07 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds63
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001011.66
LogP ≤ 59.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide?
The IUPAC name of 25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide (CID 59301941) is 25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide.
What is the SMILES notation for 25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide?
The canonical SMILES for 25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide is CNCCCNCCCCNCC(CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCOCCOCCOC)CNCCCCNCCCNC.
What is the InChIKey of 25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide?
The InChIKey is GYWDBGYXMVVFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H122N8O5/c1-59-39-34-45-61-41-30-32-43-63-54-56(55-64-44-33-31-42-62-46-35-40-60-2)36-26-23-25-29-47-65-57(67)37-27-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-24-28-48-66-58(68)38-49-70-52-53-71-51-50-69-3/h56,59-64H,4-55H2,1-3H3,(H,65,67)(H,66,68).
What are the key properties of 25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide?
25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide has a molecular weight of 1011.66 g/mol, XLogP of 9.97, 63 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 25-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]-N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]pentacosanamide is sourced from PubChem (CID 59301941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).