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

C20H36N2O4+2 — CID 7064770

IUPAC7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane
SMILESC[NH+]1CCOCCOCC[NH+](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/p+2
InChIKeyORJWVUHAKDKQLZ-UHFFFAOYSA-P
MW368.52 g/mol
LogP-1.33
Rot. Bonds2

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

7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane (PubChem CID 7064770) has the molecular formula C20H36N2O4+2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane.

Molecular Properties

Compound Name7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane
PubChem CID7064770
Molecular FormulaC20H36N2O4+2
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane
SMILESC[NH+]1CCOCCOCC[NH+](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/p+2
InChIKeyORJWVUHAKDKQLZ-UHFFFAOYSA-P
XLogP-1.33
TPSA45.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
4-(morpholin-4-ium-4-ylmethyl)phenol
CID 6943124
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium
CID 7315778
4-[(2-methylphenyl)methyl]morpholin-4-ium
CID 7445084
4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
CID 6942864
1-benzyl-4-(2-piperidin-1-ium-1-ylethyl)piperazine-1,4-diium
CID 7436888
4-[(2R)-2-phenylpropyl]morpholin-4-ium
CID 6938323
4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium
CID 6942878
4-(naphthalen-1-ylmethyl)morpholin-4-ium
CID 6942888

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane?
The IUPAC name of 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane (CID 7064770) is 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane.
What is the SMILES notation for 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane?
The canonical SMILES for 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane is C[NH+]1CCOCCOCC[NH+](Cc2ccccc2)CCOCCOCC1.
What is the InChIKey of 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane?
The InChIKey is ORJWVUHAKDKQLZ-UHFFFAOYSA-P. 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/p+2.
What are the key properties of 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane?
7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane has a molecular weight of 368.52 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane is sourced from PubChem (CID 7064770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).