2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide

C19H36N4O6 — CID 134452676

About 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide

2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide (PubChem CID 134452676) has the molecular formula C19H36N4O6 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide
• PubChem CID: 134452676
• Molecular Formula: C19H36N4O6
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.26
• IUPAC Name: 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide
• SMILES: CNC(=O)CN(CC(=O)NC)CC(=O)NCCOCCOCCC(=O)C(C)(C)C
• InChI: InChI=1S/C19H36N4O6/c1-19(2,3)15(24)6-8-28-10-11-29-9-7-22-18(27)14-23(12-16(25)20-4)13-17(26)21-5/h6-14H2,1-5H3,(H,20,25)(H,21,26)(H,22,27)
• InChIKey: XKIGQPVKRDIFOJ-UHFFFAOYSA-N
• XLogP: -1.06
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	-1.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide?

The IUPAC name of 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide (CID 134452676) is 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide.

What is the SMILES notation for 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide?

The canonical SMILES for 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide is CNC(=O)CN(CC(=O)NC)CC(=O)NCCOCCOCCC(=O)C(C)(C)C.

What is the InChIKey of 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide?

The InChIKey is XKIGQPVKRDIFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O6/c1-19(2,3)15(24)6-8-28-10-11-29-9-7-22-18(27)14-23(12-16(25)20-4)13-17(26)21-5/h6-14H2,1-5H3,(H,20,25)(H,21,26)(H,22,27).

What are the key properties of 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide?

2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide has a molecular weight of 416.52 g/mol, XLogP of -1.06, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide is sourced from PubChem (CID 134452676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).