2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C24H32N4O4 — CID 101178662

IUPAC2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESc1cnc2c(c1)N(CCOC1CCCCO1)c1ncccc1N2CCOC1CCCCO1
InChIInChI=1S/C24H32N4O4/c1-3-15-29-21(9-1)31-17-13-27-19-7-5-12-26-24(19)28(20-8-6-11-25-23(20)27)14-18-32-22-10-2-4-16-30-22/h5-8,11-12,21-22H,1-4,9-10,13-18H2
InChIKeyIOYNPDZSOGDEMY-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.15
Rot. Bonds8

About 2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 101178662) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID101178662
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESc1cnc2c(c1)N(CCOC1CCCCO1)c1ncccc1N2CCOC1CCCCO1
InChIInChI=1S/C24H32N4O4/c1-3-15-29-21(9-1)31-17-13-27-19-7-5-12-26-24(19)28(20-8-6-11-25-23(20)27)14-18-32-22-10-2-4-16-30-22/h5-8,11-12,21-22H,1-4,9-10,13-18H2
InChIKeyIOYNPDZSOGDEMY-UHFFFAOYSA-N
XLogP4.15
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene with MolForge

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Related Compounds

1-[2-(oxan-2-yloxy)ethyl]-3H-indol-2-one
CID 77211492
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
3-chloro-2-(oxan-2-yloxymethyl)pyridine
CID 168944061
2-(2-phenoxyethoxy)oxane
CID 11736193
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
2-[(Z)-6-(oxan-2-yloxy)hex-1-enyl]pyridine
CID 10355306
2-nitro-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 90063267
2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129411763
3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine
CID 121451893
(8R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 100668970
1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine
CID 124872483
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956

Frequently Asked Questions

What is the IUPAC name of 2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 101178662) is 2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is c1cnc2c(c1)N(CCOC1CCCCO1)c1ncccc1N2CCOC1CCCCO1.
What is the InChIKey of 2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is IOYNPDZSOGDEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-3-15-29-21(9-1)31-17-13-27-19-7-5-12-26-24(19)28(20-8-6-11-25-23(20)27)14-18-32-22-10-2-4-16-30-22/h5-8,11-12,21-22H,1-4,9-10,13-18H2.
What are the key properties of 2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 440.54 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 101178662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).