7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione

C24H30N2O6 — CID 12887277

IUPAC7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
SMILESO=C1COCCOCC(=O)N(c2ccccc2)CCOCCOCCN1c1ccccc1
InChIInChI=1S/C24H30N2O6/c27-23-19-31-17-18-32-20-24(28)26(22-9-5-2-6-10-22)12-14-30-16-15-29-13-11-25(23)21-7-3-1-4-8-21/h1-10H,11-20H2
InChIKeyGYWYZIIOFOWOIQ-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.13
Rot. Bonds2

About 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione

7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione (PubChem CID 12887277) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione.

Molecular Properties

Compound Name7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
PubChem CID12887277
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
SMILESO=C1COCCOCC(=O)N(c2ccccc2)CCOCCOCCN1c1ccccc1
InChIInChI=1S/C24H30N2O6/c27-23-19-31-17-18-32-20-24(28)26(22-9-5-2-6-10-22)12-14-30-16-15-29-13-11-25(23)21-7-3-1-4-8-21/h1-10H,11-20H2
InChIKeyGYWYZIIOFOWOIQ-UHFFFAOYSA-N
XLogP2.13
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione?
The IUPAC name of 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione (CID 12887277) is 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione.
What is the SMILES notation for 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione?
The canonical SMILES for 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione is O=C1COCCOCC(=O)N(c2ccccc2)CCOCCOCCN1c1ccccc1.
What is the InChIKey of 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione?
The InChIKey is GYWYZIIOFOWOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c27-23-19-31-17-18-32-20-24(28)26(22-9-5-2-6-10-22)12-14-30-16-15-29-13-11-25(23)21-7-3-1-4-8-21/h1-10H,11-20H2.
What are the key properties of 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione?
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione has a molecular weight of 442.51 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione is sourced from PubChem (CID 12887277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).