6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide

C21H24N2O2 — CID 123868587

IUPAC6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide
SMILESCN(C)C(=O)C1=CC2=CC=C3CC(C(=O)N(C)C)=CC=C3CC2C=C1
InChIInChI=1S/C21H24N2O2/c1-22(2)20(24)18-9-7-14-11-15-8-10-19(21(25)23(3)4)13-17(15)6-5-16(14)12-18/h5-10,12,14H,11,13H2,1-4H3
InChIKeyWPVLJXINMQKNMZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.79
Rot. Bonds2

About 6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide

6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide (PubChem CID 123868587) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide.

Molecular Properties

Compound Name6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide
PubChem CID123868587
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide
SMILESCN(C)C(=O)C1=CC2=CC=C3CC(C(=O)N(C)C)=CC=C3CC2C=C1
InChIInChI=1S/C21H24N2O2/c1-22(2)20(24)18-9-7-14-11-15-8-10-19(21(25)23(3)4)13-17(15)6-5-16(14)12-18/h5-10,12,14H,11,13H2,1-4H3
InChIKeyWPVLJXINMQKNMZ-UHFFFAOYSA-N
XLogP2.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide?
The IUPAC name of 6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide (CID 123868587) is 6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide.
What is the SMILES notation for 6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide?
The canonical SMILES for 6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide is CN(C)C(=O)C1=CC2=CC=C3CC(C(=O)N(C)C)=CC=C3CC2C=C1.
What is the InChIKey of 6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide?
The InChIKey is WPVLJXINMQKNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-22(2)20(24)18-9-7-14-11-15-8-10-19(21(25)23(3)4)13-17(15)6-5-16(14)12-18/h5-10,12,14H,11,13H2,1-4H3.
What are the key properties of 6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide?
6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,13-N,13-N-tetramethyltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaene-6,13-dicarboxamide is sourced from PubChem (CID 123868587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).