N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide

C47H88N2O19P- — CID 159527843

About N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide

N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide (PubChem CID 159527843) has the molecular formula C47H88N2O19P- and a molecular weight of 1016.19 g/mol. Its IUPAC name is N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide.

Molecular Properties

• Compound Name: N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide
• PubChem CID: 159527843
• Molecular Formula: C47H88N2O19P-
• Molecular Weight: 1016.19 g/mol
• Exact Mass: 1015.57
• IUPAC Name: N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide
• SMILES: [CH2-]P(=O)(OCCOCCOCCOCCOCCOCCOCCC(=O)NC(CCC(=O)NC(CCC(=O)CCCOCCOC)C(=O)CCCOCCOC)C(=O)CCCOCCOC)C(C)C
• InChI: InChI=1S/C47H88N2O19P/c1-40(2)69(6,55)68-39-38-67-37-36-66-35-34-65-33-32-64-31-30-63-29-28-62-21-17-47(54)49-43(45(52)12-9-20-61-27-24-58-5)15-16-46(53)48-42(44(51)11-8-19-60-26-23-57-4)14-13-41(50)10-7-18-59-25-22-56-3/h40,42-43H,6-39H2,1-5H3,(H,48,53)(H,49,54)/q-1
• InChIKey: MCPKRXKPGRIMTH-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 246.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 54
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.19
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide?

The IUPAC name of N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide (CID 159527843) is N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide.

What is the SMILES notation for N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide?

The canonical SMILES for N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide is [CH2-]P(=O)(OCCOCCOCCOCCOCCOCCOCCC(=O)NC(CCC(=O)NC(CCC(=O)CCCOCCOC)C(=O)CCCOCCOC)C(=O)CCCOCCOC)C(C)C.

What is the InChIKey of N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide?

The InChIKey is MCPKRXKPGRIMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H88N2O19P/c1-40(2)69(6,55)68-39-38-67-37-36-66-35-34-65-33-32-64-31-30-63-29-28-62-21-17-47(54)49-43(45(52)12-9-20-61-27-24-58-5)15-16-46(53)48-42(44(51)11-8-19-60-26-23-57-4)14-13-41(50)10-7-18-59-25-22-56-3/h40,42-43H,6-39H2,1-5H3,(H,48,53)(H,49,54)/q-1.

What are the key properties of N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide?

N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide has a molecular weight of 1016.19 g/mol, XLogP of 3.54, 54 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide is sourced from PubChem (CID 159527843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).