1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone

C12H23NO5 — CID 10061205

IUPAC1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C12H23NO5/c1-12(14)13-2-4-15-6-8-17-10-11-18-9-7-16-5-3-13/h2-11H2,1H3
InChIKeyLDDZLZKQCHQDKR-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.09
Rot. Bonds

About 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone

1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone (PubChem CID 10061205) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone.

Molecular Properties

Compound Name1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone
PubChem CID10061205
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone
SMILESCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C12H23NO5/c1-12(14)13-2-4-15-6-8-17-10-11-18-9-7-16-5-3-13/h2-11H2,1H3
InChIKeyLDDZLZKQCHQDKR-UHFFFAOYSA-N
XLogP-0.09
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone?
The IUPAC name of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone (CID 10061205) is 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone.
What is the SMILES notation for 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone?
The canonical SMILES for 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone is CC(=O)N1CCOCCOCCOCCOCC1.
What is the InChIKey of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone?
The InChIKey is LDDZLZKQCHQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-12(14)13-2-4-15-6-8-17-10-11-18-9-7-16-5-3-13/h2-11H2,1H3.
What are the key properties of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone?
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone has a molecular weight of 261.32 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone is sourced from PubChem (CID 10061205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).