2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate

C29H59N5O11 — CID 166530462

About 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate

2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 166530462) has the molecular formula C29H59N5O11 and a molecular weight of 653.82 g/mol. Its IUPAC name is 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
• PubChem CID: 166530462
• Molecular Formula: C29H59N5O11
• Molecular Weight: 653.82 g/mol
• Exact Mass: 653.42
• IUPAC Name: 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCNC(=O)NCCOCCOCCN(CCOCCOCCOCCN)CCOCCOCCOCCN
• InChI: InChI=1S/C29H59N5O11/c1-27(2)28(35)45-13-6-33-29(36)32-5-12-39-19-20-40-14-7-34(8-15-41-21-25-43-23-17-37-10-3-30)9-16-42-22-26-44-24-18-38-11-4-31/h1,3-26,30-31H2,2H3,(H2,32,33,36)
• InChIKey: LNJTUAHPQOWDAP-UHFFFAOYSA-N
• XLogP: -1.24
• TPSA: 196.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 35
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.82
LogP ≤ 5	-1.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate (CID 166530462) is 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NCCOCCOCCN(CCOCCOCCOCCN)CCOCCOCCOCCN.

What is the InChIKey of 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?

The InChIKey is LNJTUAHPQOWDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59N5O11/c1-27(2)28(35)45-13-6-33-29(36)32-5-12-39-19-20-40-14-7-34(8-15-41-21-25-43-23-17-37-10-3-30)9-16-42-22-26-44-24-18-38-11-4-31/h1,3-26,30-31H2,2H3,(H2,32,33,36).

What are the key properties of 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?

2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 653.82 g/mol, XLogP of -1.24, 35 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 166530462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).