2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide

C14H28N2O6 — CID 623957

IUPAC2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide
SMILESNC(=O)CN1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C14H28N2O6/c15-14(17)13-16-1-3-18-5-7-20-9-11-22-12-10-21-8-6-19-4-2-16/h1-13H2,(H2,15,17)
InChIKeyIDTAFJDKZFOCOY-UHFFFAOYSA-N
MW320.39 g/mol
LogP-1.13
Rot. Bonds2

About 2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide

2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide (PubChem CID 623957) has the molecular formula C14H28N2O6 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide.

Molecular Properties

Compound Name2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide
PubChem CID623957
Molecular FormulaC14H28N2O6
Molecular Weight320.39 g/mol
Exact Mass320.19
IUPAC Name2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide
SMILESNC(=O)CN1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C14H28N2O6/c15-14(17)13-16-1-3-18-5-7-20-9-11-22-12-10-21-8-6-19-4-2-16/h1-13H2,(H2,15,17)
InChIKeyIDTAFJDKZFOCOY-UHFFFAOYSA-N
XLogP-1.13
TPSA92.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide?
The IUPAC name of 2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide (CID 623957) is 2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide.
What is the SMILES notation for 2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide?
The canonical SMILES for 2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide is NC(=O)CN1CCOCCOCCOCCOCCOCC1.
What is the InChIKey of 2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide?
The InChIKey is IDTAFJDKZFOCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O6/c15-14(17)13-16-1-3-18-5-7-20-9-11-22-12-10-21-8-6-19-4-2-16/h1-13H2,(H2,15,17).
What are the key properties of 2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide?
2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of -1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetamide is sourced from PubChem (CID 623957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).