N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide

C34H65N7O7 — CID 144683205

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide
SMILESCNCC(C)(C)COCC(C)(C)Cn1nnc2c1CCN(C(=O)CCCC(=O)NCCCOCCOCCOCCCN)CC(OC)C2
InChIInChI=1S/C34H65N7O7/c1-33(2,24-36-5)26-48-27-34(3,4)25-41-30-12-15-40(23-28(44-6)22-29(30)38-39-41)32(43)11-7-10-31(42)37-14-9-17-46-19-21-47-20-18-45-16-8-13-35/h28,36H,7-27,35H2,1-6H3,(H,37,42)
InChIKeyZBYHEJQQDWUYOC-UHFFFAOYSA-N
MW683.94 g/mol
LogP1.58
Rot. Bonds26

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide (PubChem CID 144683205) has the molecular formula C34H65N7O7 and a molecular weight of 683.94 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide
PubChem CID144683205
Molecular FormulaC34H65N7O7
Molecular Weight683.94 g/mol
Exact Mass683.49
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide
SMILESCNCC(C)(C)COCC(C)(C)Cn1nnc2c1CCN(C(=O)CCCC(=O)NCCCOCCOCCOCCCN)CC(OC)C2
InChIInChI=1S/C34H65N7O7/c1-33(2,24-36-5)26-48-27-34(3,4)25-41-30-12-15-40(23-28(44-6)22-29(30)38-39-41)32(43)11-7-10-31(42)37-14-9-17-46-19-21-47-20-18-45-16-8-13-35/h28,36H,7-27,35H2,1-6H3,(H,37,42)
InChIKeyZBYHEJQQDWUYOC-UHFFFAOYSA-N
XLogP1.58
TPSA164.32 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.94
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide (CID 144683205) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide is CNCC(C)(C)COCC(C)(C)Cn1nnc2c1CCN(C(=O)CCCC(=O)NCCCOCCOCCOCCCN)CC(OC)C2.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide?
The InChIKey is ZBYHEJQQDWUYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H65N7O7/c1-33(2,24-36-5)26-48-27-34(3,4)25-41-30-12-15-40(23-28(44-6)22-29(30)38-39-41)32(43)11-7-10-31(42)37-14-9-17-46-19-21-47-20-18-45-16-8-13-35/h28,36H,7-27,35H2,1-6H3,(H,37,42).
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide has a molecular weight of 683.94 g/mol, XLogP of 1.58, 26 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-[3-[3-[2,2-dimethyl-3-(methylamino)propoxy]-2,2-dimethylpropyl]-8-methoxy-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl]-5-oxopentanamide is sourced from PubChem (CID 144683205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).