13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane

C18H29NO5 — CID 3414763

IUPAC13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESCOc1ccc(CN2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C18H29NO5/c1-20-18-4-2-17(3-5-18)16-19-6-8-21-10-12-23-14-15-24-13-11-22-9-7-19/h2-5H,6-16H2,1H3
InChIKeyQUCYDRNZNXEMKG-UHFFFAOYSA-N
MW339.43 g/mol
LogP1.58
Rot. Bonds3

About 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane

13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane (PubChem CID 3414763) has the molecular formula C18H29NO5 and a molecular weight of 339.43 g/mol. Its IUPAC name is 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane.

Molecular Properties

Compound Name13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
PubChem CID3414763
Molecular FormulaC18H29NO5
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC Name13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESCOc1ccc(CN2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C18H29NO5/c1-20-18-4-2-17(3-5-18)16-19-6-8-21-10-12-23-14-15-24-13-11-22-9-7-19/h2-5H,6-16H2,1H3
InChIKeyQUCYDRNZNXEMKG-UHFFFAOYSA-N
XLogP1.58
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The IUPAC name of 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane (CID 3414763) is 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane.
What is the SMILES notation for 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The canonical SMILES for 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane is COc1ccc(CN2CCOCCOCCOCCOCC2)cc1.
What is the InChIKey of 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The InChIKey is QUCYDRNZNXEMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO5/c1-20-18-4-2-17(3-5-18)16-19-6-8-21-10-12-23-14-15-24-13-11-22-9-7-19/h2-5H,6-16H2,1H3.
What are the key properties of 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane?
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane has a molecular weight of 339.43 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane is sourced from PubChem (CID 3414763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).