2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide

C19H35N5O10 — CID 167570790

About 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide

2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide (PubChem CID 167570790) has the molecular formula C19H35N5O10 and a molecular weight of 493.51 g/mol. Its IUPAC name is 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide.

Molecular Properties

• Compound Name: 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide
• PubChem CID: 167570790
• Molecular Formula: C19H35N5O10
• Molecular Weight: 493.51 g/mol
• Exact Mass: 493.24
• IUPAC Name: 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide
• SMILES: COCCOCNC(=O)CNC(=O)CCC(NC(=O)CO)C(=O)NCC(=O)NCOCCOC
• InChI: InChI=1S/C19H35N5O10/c1-31-5-7-33-12-22-16(27)9-20-15(26)4-3-14(24-18(29)11-25)19(30)21-10-17(28)23-13-34-8-6-32-2/h14,25H,3-13H2,1-2H3,(H,20,26)(H,21,30)(H,22,27)(H,23,28)(H,24,29)
• InChIKey: VCWGKECZYLHIHG-UHFFFAOYSA-N
• XLogP: -4.05
• TPSA: 202.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.51
LogP ≤ 5	-4.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide?

The IUPAC name of 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide (CID 167570790) is 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide.

What is the SMILES notation for 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide?

The canonical SMILES for 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide is COCCOCNC(=O)CNC(=O)CCC(NC(=O)CO)C(=O)NCC(=O)NCOCCOC.

What is the InChIKey of 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide?

The InChIKey is VCWGKECZYLHIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O10/c1-31-5-7-33-12-22-16(27)9-20-15(26)4-3-14(24-18(29)11-25)19(30)21-10-17(28)23-13-34-8-6-32-2/h14,25H,3-13H2,1-2H3,(H,20,26)(H,21,30)(H,22,27)(H,23,28)(H,24,29).

What are the key properties of 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide?

2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide has a molecular weight of 493.51 g/mol, XLogP of -4.05, 20 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-hydroxyacetyl)amino]-N,N'-bis[2-(2-methoxyethoxymethylamino)-2-oxoethyl]pentanediamide is sourced from PubChem (CID 167570790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).