N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide

C47H91N7O13 — CID 89122163

About N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide (PubChem CID 89122163) has the molecular formula C47H91N7O13 and a molecular weight of 962.28 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide
• PubChem CID: 89122163
• Molecular Formula: C47H91N7O13
• Molecular Weight: 962.28 g/mol
• Exact Mass: 961.67
• IUPAC Name: N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC)C(=O)CN[C@@H](CO)C(N)=O
• InChI: InChI=1S/C47H91N7O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-43(57)51-23-26-62-29-33-66-38-45(59)53-25-28-64-31-34-67-39-46(60)52-24-27-63-30-32-65-37-44(58)50-22-19-18-20-40(49-2)42(56)35-54-41(36-55)47(48)61/h40-41,49,54-55H,3-39H2,1-2H3,(H2,48,61)(H,50,58)(H,51,57)(H,52,60)(H,53,59)/t40-,41-/m0/s1
• InChIKey: NALNWLBXWOSPRL-YATWDLPUSA-N
• XLogP: 1.58
• TPSA: 276.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 52
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	962.28
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide (CID 89122163) is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC)C(=O)CN[C@@H](CO)C(N)=O.

What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide?

The InChIKey is NALNWLBXWOSPRL-YATWDLPUSA-N. The full InChI is InChI=1S/C47H91N7O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-43(57)51-23-26-62-29-33-66-38-45(59)53-25-28-64-31-34-67-39-46(60)52-24-27-63-30-32-65-37-44(58)50-22-19-18-20-40(49-2)42(56)35-54-41(36-55)47(48)61/h40-41,49,54-55H,3-39H2,1-2H3,(H2,48,61)(H,50,58)(H,51,57)(H,52,60)(H,53,59)/t40-,41-/m0/s1.

What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide?

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide has a molecular weight of 962.28 g/mol, XLogP of 1.58, 52 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(5S)-7-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]octadecanamide is sourced from PubChem (CID 89122163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).