dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide

C26H45K2N2O9+ — CID 165079312

About dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide

dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide (PubChem CID 165079312) has the molecular formula C26H45K2N2O9+ and a molecular weight of 607.85 g/mol. Its IUPAC name is dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide.

Molecular Properties

• Compound Name: dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide
• PubChem CID: 165079312
• Molecular Formula: C26H45K2N2O9+
• Molecular Weight: 607.85 g/mol
• Exact Mass: 607.24
• IUPAC Name: dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide
• SMILES: [CH2-]CC(=O)CC(NC(=O)CCC(NCCC(=O)COCCOC)C(=O)CCCOCCOC)C(=O)CC.[K+].[K+]
• InChI: InChI=1S/C26H45N2O9.2K/c1-5-20(29)18-23(24(31)6-2)28-26(33)10-9-22(25(32)8-7-13-36-16-14-34-3)27-12-11-21(30)19-37-17-15-35-4;;/h22-23,27H,1,5-19H2,2-4H3,(H,28,33);;/q-1;2*+1
• InChIKey: MQCTYWBLJYMPAK-UHFFFAOYSA-N
• XLogP: -4.99
• TPSA: 146.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.85
LogP ≤ 5	-4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide?

The IUPAC name of dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide (CID 165079312) is dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide.

What is the SMILES notation for dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide?

The canonical SMILES for dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide is [CH2-]CC(=O)CC(NC(=O)CCC(NCCC(=O)COCCOC)C(=O)CCCOCCOC)C(=O)CC.[K+].[K+].

What is the InChIKey of dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide?

The InChIKey is MQCTYWBLJYMPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N2O9.2K/c1-5-20(29)18-23(24(31)6-2)28-26(33)10-9-22(25(32)8-7-13-36-16-14-34-3)27-12-11-21(30)19-37-17-15-35-4;;/h22-23,27H,1,5-19H2,2-4H3,(H,28,33);;/q-1;2*+1.

What are the key properties of dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide?

dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide has a molecular weight of 607.85 g/mol, XLogP of -4.99, 26 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;N-(3,6-dioxooctan-4-yl)-8-(2-methoxyethoxy)-4-[[4-(2-methoxyethoxy)-3-oxobutyl]amino]-5-oxooctanamide is sourced from PubChem (CID 165079312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).