11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene

C26H38N2O2 — CID 51353844

IUPAC11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene
SMILESCc1ccc2c(c1)CNCCCCCCNCc1cc(C)ccc1OCCCCO2
InChIInChI=1S/C26H38N2O2/c1-21-9-11-25-23(17-21)19-27-13-5-3-4-6-14-28-20-24-18-22(2)10-12-26(24)30-16-8-7-15-29-25/h9-12,17-18,27-28H,3-8,13-16,19-20H2,1-2H3
InChIKeyXPVLLFWJSQJZNN-UHFFFAOYSA-N
MW410.60 g/mol
LogP5.29
Rot. Bonds

About 11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene

11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene (PubChem CID 51353844) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is 11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene.

Molecular Properties

Compound Name11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene
PubChem CID51353844
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene
SMILESCc1ccc2c(c1)CNCCCCCCNCc1cc(C)ccc1OCCCCO2
InChIInChI=1S/C26H38N2O2/c1-21-9-11-25-23(17-21)19-27-13-5-3-4-6-14-28-20-24-18-22(2)10-12-26(24)30-16-8-7-15-29-25/h9-12,17-18,27-28H,3-8,13-16,19-20H2,1-2H3
InChIKeyXPVLLFWJSQJZNN-UHFFFAOYSA-N
XLogP5.29
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene?
The IUPAC name of 11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene (CID 51353844) is 11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene.
What is the SMILES notation for 11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene?
The canonical SMILES for 11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene is Cc1ccc2c(c1)CNCCCCCCNCc1cc(C)ccc1OCCCCO2.
What is the InChIKey of 11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene?
The InChIKey is XPVLLFWJSQJZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-21-9-11-25-23(17-21)19-27-13-5-3-4-6-14-28-20-24-18-22(2)10-12-26(24)30-16-8-7-15-29-25/h9-12,17-18,27-28H,3-8,13-16,19-20H2,1-2H3.
What are the key properties of 11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene?
11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene has a molecular weight of 410.60 g/mol, XLogP of 5.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,26-dimethyl-2,7-dioxa-15,22-diazatricyclo[22.4.0.08,13]octacosa-1(24),8(13),9,11,25,27-hexaene is sourced from PubChem (CID 51353844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).