N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide

C65H90N6O8 — CID 90141925

About N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide

N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide (PubChem CID 90141925) has the molecular formula C65H90N6O8 and a molecular weight of 1083.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide
• PubChem CID: 90141925
• Molecular Formula: C65H90N6O8
• Molecular Weight: 1083.47 g/mol
• Exact Mass: 1082.68
• IUPAC Name: N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide
• SMILES: C=CCc1ccc(OCC(=O)NCCN(C)C)c(Cc2cc(CC(=C)C)cc(Cc3cc(CC=C)cc(Cc4cc(CC(=C)C)cc(CC)c4OCC(=O)NCCC)c3OCC(=O)NCCN(C)C)c2OCC(=O)NCCC)c1
• InChI: InChI=1S/C65H90N6O8/c1-14-19-47-21-22-58(76-41-59(72)68-25-27-70(10)11)52(31-47)38-55-36-50(30-46(8)9)37-57(65(55)78-43-61(74)67-24-17-4)40-54-33-48(20-15-2)32-53(64(54)79-44-62(75)69-26-28-71(12)13)39-56-35-49(29-45(6)7)34-51(18-5)63(56)77-42-60(73)66-23-16-3/h14-15,21-22,31-37H,1-2,6,8,16-20,23-30,38-44H2,3-5,7,9-13H3,(H,66,73)(H,67,74)(H,68,72)(H,69,75)
• InChIKey: FLIRMZHZYGKZBE-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 159.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 37
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.47
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide (CID 90141925) is N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide is C=CCc1ccc(OCC(=O)NCCN(C)C)c(Cc2cc(CC(=C)C)cc(Cc3cc(CC=C)cc(Cc4cc(CC(=C)C)cc(CC)c4OCC(=O)NCCC)c3OCC(=O)NCCN(C)C)c2OCC(=O)NCCC)c1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide?

The InChIKey is FLIRMZHZYGKZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H90N6O8/c1-14-19-47-21-22-58(76-41-59(72)68-25-27-70(10)11)52(31-47)38-55-36-50(30-46(8)9)37-57(65(55)78-43-61(74)67-24-17-4)40-54-33-48(20-15-2)32-53(64(54)79-44-62(75)69-26-28-71(12)13)39-56-35-49(29-45(6)7)34-51(18-5)63(56)77-42-60(73)66-23-16-3/h14-15,21-22,31-37H,1-2,6,8,16-20,23-30,38-44H2,3-5,7,9-13H3,(H,66,73)(H,67,74)(H,68,72)(H,69,75).

What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide?

N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide has a molecular weight of 1083.47 g/mol, XLogP of 8.64, 37 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide is sourced from PubChem (CID 90141925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).