3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide

C42H76N4O17 — CID 146673145

About 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide

3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide (PubChem CID 146673145) has the molecular formula C42H76N4O17 and a molecular weight of 909.08 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide
• PubChem CID: 146673145
• Molecular Formula: C42H76N4O17
• Molecular Weight: 909.08 g/mol
• Exact Mass: 908.52
• IUPAC Name: 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide
• SMILES: C#CCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCC#C)NC(=O)CCOCCOCCOCCOCCN
• InChI: InChI=1S/C42H76N4O17/c1-3-11-50-19-25-56-31-35-60-29-23-54-17-9-44-40(47)5-14-62-37-39(46-42(49)7-13-52-21-27-58-33-34-59-28-22-53-16-8-43)38-63-15-6-41(48)45-10-18-55-24-30-61-36-32-57-26-20-51-12-4-2/h1-2,39H,5-38,43H2,(H,44,47)(H,45,48)(H,46,49)
• InChIKey: FPYSRSQCUQNZCB-UHFFFAOYSA-N
• XLogP: -1.67
• TPSA: 242.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 51
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.08
LogP ≤ 5	-1.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide?

The IUPAC name of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide (CID 146673145) is 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide.

What is the SMILES notation for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide?

The canonical SMILES for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide is C#CCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCC#C)NC(=O)CCOCCOCCOCCOCCN.

What is the InChIKey of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide?

The InChIKey is FPYSRSQCUQNZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H76N4O17/c1-3-11-50-19-25-56-31-35-60-29-23-54-17-9-44-40(47)5-14-62-37-39(46-42(49)7-13-52-21-27-58-33-34-59-28-22-53-16-8-43)38-63-15-6-41(48)45-10-18-55-24-30-61-36-32-57-26-20-51-12-4-2/h1-2,39H,5-38,43H2,(H,44,47)(H,45,48)(H,46,49).

What are the key properties of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide?

3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide has a molecular weight of 909.08 g/mol, XLogP of -1.67, 51 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide is sourced from PubChem (CID 146673145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).