7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

C20H34N2O4 — CID 3700431

IUPAC7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESCN1CCOCCOCCN(Cc2ccccc2)CCOCCOCC1
InChIInChI=1S/C20H34N2O4/c1-21-7-11-23-15-17-25-13-9-22(19-20-5-3-2-4-6-20)10-14-26-18-16-24-12-8-21/h2-6H,7-19H2,1H3
InChIKeyORJWVUHAKDKQLZ-UHFFFAOYSA-N
MW366.50 g/mol
LogP1.50
Rot. Bonds2

About 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (PubChem CID 3700431) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.

Molecular Properties

Compound Name7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
PubChem CID3700431
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Name7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESCN1CCOCCOCCN(Cc2ccccc2)CCOCCOCC1
InChIInChI=1S/C20H34N2O4/c1-21-7-11-23-15-17-25-13-9-22(19-20-5-3-2-4-6-20)10-14-26-18-16-24-12-8-21/h2-6H,7-19H2,1H3
InChIKeyORJWVUHAKDKQLZ-UHFFFAOYSA-N
XLogP1.50
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The IUPAC name of 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (CID 3700431) is 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.
What is the SMILES notation for 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The canonical SMILES for 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is CN1CCOCCOCCN(Cc2ccccc2)CCOCCOCC1.
What is the InChIKey of 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The InChIKey is ORJWVUHAKDKQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-21-7-11-23-15-17-25-13-9-22(19-20-5-3-2-4-6-20)10-14-26-18-16-24-12-8-21/h2-6H,7-19H2,1H3.
What are the key properties of 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane has a molecular weight of 366.50 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is sourced from PubChem (CID 3700431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).