2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide

C18H28N8O6 — CID 170213632

IUPAC2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)COC1CCCCCc2n[nH]nc21
InChIInChI=1S/C18H28N8O6/c19-13(27)6-20-14(28)7-21-15(29)8-22-16(30)9-23-17(31)10-32-12-5-3-1-2-4-11-18(12)25-26-24-11/h12H,1-10H2,(H2,19,27)(H,20,28)(H,21,29)(H,22,30)(H,23,31)(H,24,25,26)
InChIKeyMXFFLAYZQPOPHA-UHFFFAOYSA-N
MW452.47 g/mol
LogP-3.07
Rot. Bonds11

About 2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide

2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide (PubChem CID 170213632) has the molecular formula C18H28N8O6 and a molecular weight of 452.47 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide
PubChem CID170213632
Molecular FormulaC18H28N8O6
Molecular Weight452.47 g/mol
Exact Mass452.21
IUPAC Name2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)COC1CCCCCc2n[nH]nc21
InChIInChI=1S/C18H28N8O6/c19-13(27)6-20-14(28)7-21-15(29)8-22-16(30)9-23-17(31)10-32-12-5-3-1-2-4-11-18(12)25-26-24-11/h12H,1-10H2,(H2,19,27)(H,20,28)(H,21,29)(H,22,30)(H,23,31)(H,24,25,26)
InChIKeyMXFFLAYZQPOPHA-UHFFFAOYSA-N
XLogP-3.07
TPSA210.29 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.47
LogP ≤ 5-3.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide (CID 170213632) is 2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide is NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)COC1CCCCCc2n[nH]nc21.
What is the InChIKey of 2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide?
The InChIKey is MXFFLAYZQPOPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8O6/c19-13(27)6-20-14(28)7-21-15(29)8-22-16(30)9-23-17(31)10-32-12-5-3-1-2-4-11-18(12)25-26-24-11/h12H,1-10H2,(H2,19,27)(H,20,28)(H,21,29)(H,22,30)(H,23,31)(H,24,25,26).
What are the key properties of 2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide?
2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide has a molecular weight of 452.47 g/mol, XLogP of -3.07, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 170213632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).