2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate

C23H41N3O11 — CID 59770643

About 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate

2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate (PubChem CID 59770643) has the molecular formula C23H41N3O11 and a molecular weight of 535.59 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate.

Molecular Properties

• Compound Name: 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate
• PubChem CID: 59770643
• Molecular Formula: C23H41N3O11
• Molecular Weight: 535.59 g/mol
• Exact Mass: 535.27
• IUPAC Name: 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate
• SMILES: CCCOC(=O)NCCOCCOCCNC(=O)COCC(=O)OCCN(CCOC(C)=O)CC(C)=O
• InChI: InChI=1S/C23H41N3O11/c1-4-9-37-23(31)25-6-11-33-15-14-32-10-5-24-21(29)17-34-18-22(30)36-13-8-26(16-19(2)27)7-12-35-20(3)28/h4-18H2,1-3H3,(H,24,29)(H,25,31)
• InChIKey: XLVZIAGZIYUPTC-UHFFFAOYSA-N
• XLogP: -0.71
• TPSA: 168.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.59
LogP ≤ 5	-0.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate?

The IUPAC name of 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate (CID 59770643) is 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate.

What is the SMILES notation for 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate?

The canonical SMILES for 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate is CCCOC(=O)NCCOCCOCCNC(=O)COCC(=O)OCCN(CCOC(C)=O)CC(C)=O.

What is the InChIKey of 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate?

The InChIKey is XLVZIAGZIYUPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O11/c1-4-9-37-23(31)25-6-11-33-15-14-32-10-5-24-21(29)17-34-18-22(30)36-13-8-26(16-19(2)27)7-12-35-20(3)28/h4-18H2,1-3H3,(H,24,29)(H,25,31).

What are the key properties of 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate?

2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate has a molecular weight of 535.59 g/mol, XLogP of -0.71, 23 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate is sourced from PubChem (CID 59770643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).