1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione

C10H18N2O5 — CID 12678065

IUPAC1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione
SMILESO=C1COCC(=O)NCCOCCOCCN1
InChIInChI=1S/C10H18N2O5/c13-9-7-17-8-10(14)12-2-4-16-6-5-15-3-1-11-9/h1-8H2,(H,11,13)(H,12,14)
InChIKeyVNJRSWBKYXDKQZ-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.72
Rot. Bonds

About 1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione

1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione (PubChem CID 12678065) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione.

Molecular Properties

Compound Name1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione
PubChem CID12678065
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione
SMILESO=C1COCC(=O)NCCOCCOCCN1
InChIInChI=1S/C10H18N2O5/c13-9-7-17-8-10(14)12-2-4-16-6-5-15-3-1-11-9/h1-8H2,(H,11,13)(H,12,14)
InChIKeyVNJRSWBKYXDKQZ-UHFFFAOYSA-N
XLogP-1.72
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

17-Amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecanoic acid
CID 51340918
8,11,14,17-Tetraoxa-2,5-diazacyclooctadecane-1,6-dione
CID 3146923
1,4,7-Trioxa-10,13-diazacyclopentadecane-9,14-dione
CID 3146922
2-[2-[2-[[2-[2-(2-Aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 87646232
1,4,10-Trioxa-7,13-diazacyclopentadecane-2,6,14-trione
CID 568389
N,N,N',N'-Tetraethyl-3,6-dioxaoctanediamide
CID 12855435
5,9-Dioxo-1,7-dioxa-4,10-diaza-cyclododecane
CID 14793294
1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 21316317
1,8-Dioxa-4,11-diazacyclotetradecane-3,10-dione
CID 23330011
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]acetamide
CID 53826125
2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 59533811
Oxo-cryptand
CID 129654713

Frequently Asked Questions

What is the IUPAC name of 1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione?
The IUPAC name of 1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione (CID 12678065) is 1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione.
What is the SMILES notation for 1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione?
The canonical SMILES for 1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione is O=C1COCC(=O)NCCOCCOCCN1.
What is the InChIKey of 1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione?
The InChIKey is VNJRSWBKYXDKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c13-9-7-17-8-10(14)12-2-4-16-6-5-15-3-1-11-9/h1-8H2,(H,11,13)(H,12,14).
What are the key properties of 1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione?
1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione has a molecular weight of 246.26 g/mol, XLogP of -1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,10-trioxa-7,13-diazacyclopentadecane-8,12-dione is sourced from PubChem (CID 12678065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).