1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one

C24H44N2O6 — CID 146611862

About 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one

1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one (PubChem CID 146611862) has the molecular formula C24H44N2O6 and a molecular weight of 456.62 g/mol. Its IUPAC name is 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one.

Molecular Properties

• Compound Name: 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one
• PubChem CID: 146611862
• Molecular Formula: C24H44N2O6
• Molecular Weight: 456.62 g/mol
• Exact Mass: 456.32
• IUPAC Name: 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one
• SMILES: CC(=O)CN(CCOCCOCCN(CC(=O)C(C)C)CC(=O)C(C)C)CC(=O)C(C)C
• InChI: InChI=1S/C24H44N2O6/c1-18(2)22(28)15-25(14-21(7)27)8-10-31-12-13-32-11-9-26(16-23(29)19(3)4)17-24(30)20(5)6/h18-20H,8-17H2,1-7H3
• InChIKey: CAECAWKEVNVCCA-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 93.22 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.62
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one?

The IUPAC name of 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one (CID 146611862) is 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one.

What is the SMILES notation for 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one?

The canonical SMILES for 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one is CC(=O)CN(CCOCCOCCN(CC(=O)C(C)C)CC(=O)C(C)C)CC(=O)C(C)C.

What is the InChIKey of 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one?

The InChIKey is CAECAWKEVNVCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O6/c1-18(2)22(28)15-25(14-21(7)27)8-10-31-12-13-32-11-9-26(16-23(29)19(3)4)17-24(30)20(5)6/h18-20H,8-17H2,1-7H3.

What are the key properties of 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one?

1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one has a molecular weight of 456.62 g/mol, XLogP of 1.89, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 146611862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).