10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene

C24H28N2O2 — CID 88599108

IUPAC10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene
SMILESCC(C)(C)c1ccc2c(c1)N=C=Nc1cc(C(C)(C)C)ccc1OC1CC1O2
InChIInChI=1S/C24H28N2O2/c1-23(2,3)15-7-9-19-17(11-15)25-14-26-18-12-16(24(4,5)6)8-10-20(18)28-22-13-21(22)27-19/h7-12,21-22H,13H2,1-6H3
InChIKeyPTRZQIKURDDJDK-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.33
Rot. Bonds

About 10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene

10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene (PubChem CID 88599108) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene.

Molecular Properties

Compound Name10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene
PubChem CID88599108
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene
SMILESCC(C)(C)c1ccc2c(c1)N=C=Nc1cc(C(C)(C)C)ccc1OC1CC1O2
InChIInChI=1S/C24H28N2O2/c1-23(2,3)15-7-9-19-17(11-15)25-14-26-18-12-16(24(4,5)6)8-10-20(18)28-22-13-21(22)27-19/h7-12,21-22H,13H2,1-6H3
InChIKeyPTRZQIKURDDJDK-UHFFFAOYSA-N
XLogP6.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene?
The IUPAC name of 10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene (CID 88599108) is 10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene.
What is the SMILES notation for 10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene?
The canonical SMILES for 10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene is CC(C)(C)c1ccc2c(c1)N=C=Nc1cc(C(C)(C)C)ccc1OC1CC1O2.
What is the InChIKey of 10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene?
The InChIKey is PTRZQIKURDDJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-23(2,3)15-7-9-19-17(11-15)25-14-26-18-12-16(24(4,5)6)8-10-20(18)28-22-13-21(22)27-19/h7-12,21-22H,13H2,1-6H3.
What are the key properties of 10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene?
10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene has a molecular weight of 376.50 g/mol, XLogP of 6.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene is sourced from PubChem (CID 88599108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).