21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene

C24H21N3O — CID 146261765

IUPAC21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene
SMILESC=CC1(C)c2ccccc2N2c3nccc4c3N(c3ccccc3O4)C2C1C
InChIInChI=1S/C24H21N3O/c1-4-24(3)15(2)23-26-18-11-7-8-12-19(18)28-20-13-14-25-22(21(20)26)27(23)17-10-6-5-9-16(17)24/h4-15,23H,1H2,2-3H3
InChIKeyOJTJWOCEFNZVBG-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.90
Rot. Bonds1

About 21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene

21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene (PubChem CID 146261765) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene
PubChem CID146261765
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene
SMILESC=CC1(C)c2ccccc2N2c3nccc4c3N(c3ccccc3O4)C2C1C
InChIInChI=1S/C24H21N3O/c1-4-24(3)15(2)23-26-18-11-7-8-12-19(18)28-20-13-14-25-22(21(20)26)27(23)17-10-6-5-9-16(17)24/h4-15,23H,1H2,2-3H3
InChIKeyOJTJWOCEFNZVBG-UHFFFAOYSA-N
XLogP5.90
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene?
The IUPAC name of 21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene (CID 146261765) is 21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene.
What is the SMILES notation for 21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene?
The canonical SMILES for 21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene is C=CC1(C)c2ccccc2N2c3nccc4c3N(c3ccccc3O4)C2C1C.
What is the InChIKey of 21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene?
The InChIKey is OJTJWOCEFNZVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-4-24(3)15(2)23-26-18-11-7-8-12-19(18)28-20-13-14-25-22(21(20)26)27(23)17-10-6-5-9-16(17)24/h4-15,23H,1H2,2-3H3.
What are the key properties of 21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene?
21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene has a molecular weight of 367.45 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene is sourced from PubChem (CID 146261765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).