7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

C14H30N2O4 — CID 2829027

IUPAC7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESCN1CCOCCOCCN(C)CCOCCOCC1
InChIInChI=1S/C14H30N2O4/c1-15-3-7-17-11-13-19-9-5-16(2)6-10-20-14-12-18-8-4-15/h3-14H2,1-2H3
InChIKeyULQDNFAINYMRKP-UHFFFAOYSA-N
MW290.40 g/mol
LogP-0.07
Rot. Bonds

About 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (PubChem CID 2829027) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.

Molecular Properties

Compound Name7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
PubChem CID2829027
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESCN1CCOCCOCCN(C)CCOCCOCC1
InChIInChI=1S/C14H30N2O4/c1-15-3-7-17-11-13-19-9-5-16(2)6-10-20-14-12-18-8-4-15/h3-14H2,1-2H3
InChIKeyULQDNFAINYMRKP-UHFFFAOYSA-N
XLogP-0.07
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The IUPAC name of 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (CID 2829027) is 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.
What is the SMILES notation for 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The canonical SMILES for 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is CN1CCOCCOCCN(C)CCOCCOCC1.
What is the InChIKey of 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The InChIKey is ULQDNFAINYMRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-15-3-7-17-11-13-19-9-5-16(2)6-10-20-14-12-18-8-4-15/h3-14H2,1-2H3.
What are the key properties of 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane has a molecular weight of 290.40 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is sourced from PubChem (CID 2829027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).