N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide

C71H128N4O20 — CID 161159665

About N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide

N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide (PubChem CID 161159665) has the molecular formula C71H128N4O20 and a molecular weight of 1357.81 g/mol. Its IUPAC name is N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide
• PubChem CID: 161159665
• Molecular Formula: C71H128N4O20
• Molecular Weight: 1357.81 g/mol
• Exact Mass: 1356.91
• IUPAC Name: N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide
• SMILES: C#CC(=O)NCCCCCC(=O)CC(CCOCC(=O)NCCOCCOCCO[C@H]1OC(CC)[C@@H](C)[C@H](C)C1C)(COCCC(=O)NCCOCCOCCO[C@H]1OC(CC)[C@@H](C)[C@H](C)C1C)COCCC(=O)NCCOCCOCCO[C@H]1OC(CC)[C@@H](C)[C@H](C)C1C
• InChI: InChI=1S/C71H128N4O20/c1-14-61-54(8)51(5)57(11)68(93-61)90-44-41-84-38-35-81-32-26-73-65(78)22-29-88-49-71(47-60(76)21-19-18-20-25-72-64(77)17-4,24-31-87-48-67(80)75-28-34-83-37-40-86-43-46-92-70-59(13)53(7)56(10)63(16-3)95-70)50-89-30-23-66(79)74-27-33-82-36-39-85-42-45-91-69-58(12)52(6)55(9)62(15-2)94-69/h4,51-59,61-63,68-70H,14-16,18-50H2,1-3,5-13H3,(H,72,77)(H,73,78)(H,74,79)(H,75,80)/t51-,52-,53-,54-,55-,56-,57?,58?,59?,61?,62?,63?,68-,69-,70-,71?/m0/s1
• InChIKey: MSQPBIFJLQQYNF-KXRPOXJNSA-N
• XLogP: 7.09
• TPSA: 271.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 56
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1357.81
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

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 N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide?

The IUPAC name of N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide (CID 161159665) is N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide.

What is the SMILES notation for N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide?

The canonical SMILES for N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide is C#CC(=O)NCCCCCC(=O)CC(CCOCC(=O)NCCOCCOCCO[C@H]1OC(CC)[C@@H](C)[C@H](C)C1C)(COCCC(=O)NCCOCCOCCO[C@H]1OC(CC)[C@@H](C)[C@H](C)C1C)COCCC(=O)NCCOCCOCCO[C@H]1OC(CC)[C@@H](C)[C@H](C)C1C.

What is the InChIKey of N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide?

The InChIKey is MSQPBIFJLQQYNF-KXRPOXJNSA-N. The full InChI is InChI=1S/C71H128N4O20/c1-14-61-54(8)51(5)57(11)68(93-61)90-44-41-84-38-35-81-32-26-73-65(78)22-29-88-49-71(47-60(76)21-19-18-20-25-72-64(77)17-4,24-31-87-48-67(80)75-28-34-83-37-40-86-43-46-92-70-59(13)53(7)56(10)63(16-3)95-70)50-89-30-23-66(79)74-27-33-82-36-39-85-42-45-91-69-58(12)52(6)55(9)62(15-2)94-69/h4,51-59,61-63,68-70H,14-16,18-50H2,1-3,5-13H3,(H,72,77)(H,73,78)(H,74,79)(H,75,80)/t51-,52-,53-,54-,55-,56-,57?,58?,59?,61?,62?,63?,68-,69-,70-,71?/m0/s1.

What are the key properties of N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide?

N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide has a molecular weight of 1357.81 g/mol, XLogP of 7.09, 56 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]-2-[[3-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-4-oxo-9-(prop-2-ynoylamino)nonoxy]propanamide is sourced from PubChem (CID 161159665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).