7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

C20H38N2O5 — CID 163458176

IUPAC7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESCCCN1CCOCCOCCN(CC2CC=CO2)CCOCCOCC1
InChIInChI=1S/C20H38N2O5/c1-2-5-21-6-11-23-15-17-25-13-8-22(19-20-4-3-10-27-20)9-14-26-18-16-24-12-7-21/h3,10,20H,2,4-9,11-19H2,1H3
InChIKeyBMGVEAPMTYWFRV-UHFFFAOYSA-N
MW386.53 g/mol
LogP1.38
Rot. Bonds4

About 7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (PubChem CID 163458176) has the molecular formula C20H38N2O5 and a molecular weight of 386.53 g/mol. Its IUPAC name is 7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.

Molecular Properties

Compound Name7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
PubChem CID163458176
Molecular FormulaC20H38N2O5
Molecular Weight386.53 g/mol
Exact Mass386.28
IUPAC Name7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESCCCN1CCOCCOCCN(CC2CC=CO2)CCOCCOCC1
InChIInChI=1S/C20H38N2O5/c1-2-5-21-6-11-23-15-17-25-13-8-22(19-20-4-3-10-27-20)9-14-26-18-16-24-12-7-21/h3,10,20H,2,4-9,11-19H2,1H3
InChIKeyBMGVEAPMTYWFRV-UHFFFAOYSA-N
XLogP1.38
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The IUPAC name of 7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (CID 163458176) is 7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.
What is the SMILES notation for 7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The canonical SMILES for 7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is CCCN1CCOCCOCCN(CC2CC=CO2)CCOCCOCC1.
What is the InChIKey of 7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The InChIKey is BMGVEAPMTYWFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O5/c1-2-5-21-6-11-23-15-17-25-13-8-22(19-20-4-3-10-27-20)9-14-26-18-16-24-12-7-21/h3,10,20H,2,4-9,11-19H2,1H3.
What are the key properties of 7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane has a molecular weight of 386.53 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydrofuran-2-ylmethyl)-16-propyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is sourced from PubChem (CID 163458176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).