1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol

C17H27NO5 — CID 651898

IUPAC1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol
SMILESCC(O)c1ccc2c(c1)OCCOCCN(C)CCOCCO2
InChIInChI=1S/C17H27NO5/c1-14(19)15-3-4-16-17(13-15)23-12-10-21-8-6-18(2)5-7-20-9-11-22-16/h3-4,13-14,19H,5-12H2,1-2H3
InChIKeyJKEUHRWYEDMOHX-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.48
Rot. Bonds1

About 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol

1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol (PubChem CID 651898) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol.

Molecular Properties

Compound Name1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol
PubChem CID651898
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Name1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol
SMILESCC(O)c1ccc2c(c1)OCCOCCN(C)CCOCCO2
InChIInChI=1S/C17H27NO5/c1-14(19)15-3-4-16-17(13-15)23-12-10-21-8-6-18(2)5-7-20-9-11-22-16/h3-4,13-14,19H,5-12H2,1-2H3
InChIKeyJKEUHRWYEDMOHX-UHFFFAOYSA-N
XLogP1.48
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol with MolForge

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Related Compounds

14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 101134725
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
CID 6917732
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
(1S)-1-[24-[(1S)-1-hydroxynonyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]nonan-1-ol
CID 98159723
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 51077475
(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropane-1,3-diol
CID 122470622
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414925
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylethanamine;1-methylpyrrolidine
CID 153357451
4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 162779134

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol?
The IUPAC name of 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol (CID 651898) is 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol.
What is the SMILES notation for 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol?
The canonical SMILES for 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol is CC(O)c1ccc2c(c1)OCCOCCN(C)CCOCCO2.
What is the InChIKey of 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol?
The InChIKey is JKEUHRWYEDMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c1-14(19)15-3-4-16-17(13-15)23-12-10-21-8-6-18(2)5-7-20-9-11-22-16/h3-4,13-14,19H,5-12H2,1-2H3.
What are the key properties of 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol?
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol has a molecular weight of 325.41 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol is sourced from PubChem (CID 651898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).