N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide

C47H89N3O6 — CID 167120593

About N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide

N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide (PubChem CID 167120593) has the molecular formula C47H89N3O6 and a molecular weight of 792.24 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide
• PubChem CID: 167120593
• Molecular Formula: C47H89N3O6
• Molecular Weight: 792.24 g/mol
• Exact Mass: 791.68
• IUPAC Name: N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide
• SMILES: C=CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=C)NCCCC[C@H](C)CCC=C
• InChI: InChI=1S/C47H89N3O6/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-46(51)49-34-36-53-39-41-56-43-47(52)50-35-37-54-38-40-55-42-45(4)48-33-29-28-31-44(3)30-8-6-2/h5-6,44,48H,1-2,4,7-43H2,3H3,(H,49,51)(H,50,52)/t44-/m1/s1
• InChIKey: OVBRHJSMPPVYSN-USYZEHPZSA-N
• XLogP: 10.54
• TPSA: 107.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 47
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.24
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide (CID 167120593) is N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide is C=CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=C)NCCCC[C@H](C)CCC=C.

What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide?

The InChIKey is OVBRHJSMPPVYSN-USYZEHPZSA-N. The full InChI is InChI=1S/C47H89N3O6/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-46(51)49-34-36-53-39-41-56-43-47(52)50-35-37-54-38-40-55-42-45(4)48-33-29-28-31-44(3)30-8-6-2/h5-6,44,48H,1-2,4,7-43H2,3H3,(H,49,51)(H,50,52)/t44-/m1/s1.

What are the key properties of N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide?

N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide has a molecular weight of 792.24 g/mol, XLogP of 10.54, 47 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide is sourced from PubChem (CID 167120593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).