N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide

C21H41N4O8P — CID 144843670

About N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide

N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide (PubChem CID 144843670) has the molecular formula C21H41N4O8P and a molecular weight of 508.55 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 144843670
• Molecular Formula: C21H41N4O8P
• Molecular Weight: 508.55 g/mol
• Exact Mass: 508.27
• IUPAC Name: N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
• SMILES: CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCCC(N)C(=O)P
• InChI: InChI=1S/C21H41N4O8P/c1-2-18(26)24-7-9-30-11-14-33-16-20(28)25-8-10-31-12-13-32-15-19(27)23-6-4-3-5-17(22)21(29)34/h17H,2-16,22,34H2,1H3,(H,23,27)(H,24,26)(H,25,28)
• InChIKey: BQCOGOAZFLSZTN-UHFFFAOYSA-N
• XLogP: -1.29
• TPSA: 167.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.55
LogP ≤ 5	-1.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide (CID 144843670) is N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide is CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCCC(N)C(=O)P.

What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide?

The InChIKey is BQCOGOAZFLSZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N4O8P/c1-2-18(26)24-7-9-30-11-14-33-16-20(28)25-8-10-31-12-13-32-15-19(27)23-6-4-3-5-17(22)21(29)34/h17H,2-16,22,34H2,1H3,(H,23,27)(H,24,26)(H,25,28).

What are the key properties of N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide?

N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide has a molecular weight of 508.55 g/mol, XLogP of -1.29, 23 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 144843670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).