13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

C19H31NO5 — CID 88931619

IUPAC13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESCCc1ccc(N2CCOCCOCCOCCOCC2)c(OC)c1
InChIInChI=1S/C19H31NO5/c1-3-17-4-5-18(19(16-17)21-2)20-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20/h4-5,16H,3,6-15H2,1-2H3
InChIKeyJFPPEHUSYRPIJY-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.14
Rot. Bonds3

About 13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane (PubChem CID 88931619) has the molecular formula C19H31NO5 and a molecular weight of 353.46 g/mol. Its IUPAC name is 13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane.

Molecular Properties

Compound Name13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
PubChem CID88931619
Molecular FormulaC19H31NO5
Molecular Weight353.46 g/mol
Exact Mass353.22
IUPAC Name13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESCCc1ccc(N2CCOCCOCCOCCOCC2)c(OC)c1
InChIInChI=1S/C19H31NO5/c1-3-17-4-5-18(19(16-17)21-2)20-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20/h4-5,16H,3,6-15H2,1-2H3
InChIKeyJFPPEHUSYRPIJY-UHFFFAOYSA-N
XLogP2.14
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine
CID 84754536
1-(4-ethyl-2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 138531638
13-(4-ethynyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88924483
(3-methoxy-4-morpholin-4-ylphenyl)boronic acid
CID 91825783
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine
CID 70672464
4-(4-ethylphenyl)morpholine
CID 20576442
5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline
CID 39407103
4-[4-(furan-2-yl)-2-methoxyphenyl]morpholine
CID 168525030
N-[(3-ethoxy-4-morpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine
CID 84749500
[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine
CID 104848471
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572

Frequently Asked Questions

What is the IUPAC name of 13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The IUPAC name of 13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane (CID 88931619) is 13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane.
What is the SMILES notation for 13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The canonical SMILES for 13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane is CCc1ccc(N2CCOCCOCCOCCOCC2)c(OC)c1.
What is the InChIKey of 13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The InChIKey is JFPPEHUSYRPIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO5/c1-3-17-4-5-18(19(16-17)21-2)20-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20/h4-5,16H,3,6-15H2,1-2H3.
What are the key properties of 13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane has a molecular weight of 353.46 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane is sourced from PubChem (CID 88931619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).