1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione

C10H18N2O4 — CID 71343465

IUPAC1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione
SMILESO=C1CCC(=O)NCCOCCOCCN1
InChIInChI=1S/C10H18N2O4/c13-9-1-2-10(14)12-4-6-16-8-7-15-5-3-11-9/h1-8H2,(H,11,13)(H,12,14)
InChIKeyHEKDEGIKVQWBQP-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.95
Rot. Bonds

About 1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione

1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione (PubChem CID 71343465) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione.

Molecular Properties

Compound Name1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione
PubChem CID71343465
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione
SMILESO=C1CCC(=O)NCCOCCOCCN1
InChIInChI=1S/C10H18N2O4/c13-9-1-2-10(14)12-4-6-16-8-7-15-5-3-11-9/h1-8H2,(H,11,13)(H,12,14)
InChIKeyHEKDEGIKVQWBQP-UHFFFAOYSA-N
XLogP-0.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione?
The IUPAC name of 1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione (CID 71343465) is 1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione.
What is the SMILES notation for 1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione?
The canonical SMILES for 1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione is O=C1CCC(=O)NCCOCCOCCN1.
What is the InChIKey of 1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione?
The InChIKey is HEKDEGIKVQWBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-9-1-2-10(14)12-4-6-16-8-7-15-5-3-11-9/h1-8H2,(H,11,13)(H,12,14).
What are the key properties of 1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione?
1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione has a molecular weight of 230.26 g/mol, XLogP of -0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione is sourced from PubChem (CID 71343465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).