16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

C19H31NO6 — CID 86134682

IUPAC16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESCOc1ccccc1N1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C19H31NO6/c1-21-19-5-3-2-4-18(19)20-6-8-22-10-12-24-14-16-26-17-15-25-13-11-23-9-7-20/h2-5H,6-17H2,1H3
InChIKeyDXEOYYNBLMSTFH-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.60
Rot. Bonds2

About 16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (PubChem CID 86134682) has the molecular formula C19H31NO6 and a molecular weight of 369.46 g/mol. Its IUPAC name is 16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.

Molecular Properties

Compound Name16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
PubChem CID86134682
Molecular FormulaC19H31NO6
Molecular Weight369.46 g/mol
Exact Mass369.22
IUPAC Name16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESCOc1ccccc1N1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C19H31NO6/c1-21-19-5-3-2-4-18(19)20-6-8-22-10-12-24-14-16-26-17-15-25-13-11-23-9-7-20/h2-5H,6-17H2,1H3
InChIKeyDXEOYYNBLMSTFH-UHFFFAOYSA-N
XLogP1.60
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
4-(2-phenoxyphenyl)morpholine
CID 518097
(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine
CID 113388930
13-(4-ethynyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88924483
7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 11016587
13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88931619
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane
CID 176933740
(1S)-1-(2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 95177714
4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7162577

Frequently Asked Questions

What is the IUPAC name of 16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The IUPAC name of 16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CID 86134682) is 16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.
What is the SMILES notation for 16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The canonical SMILES for 16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is COc1ccccc1N1CCOCCOCCOCCOCCOCC1.
What is the InChIKey of 16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The InChIKey is DXEOYYNBLMSTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO6/c1-21-19-5-3-2-4-18(19)20-6-8-22-10-12-24-14-16-26-17-15-25-13-11-23-9-7-20/h2-5H,6-17H2,1H3.
What are the key properties of 16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane has a molecular weight of 369.46 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is sourced from PubChem (CID 86134682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).