11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione

C20H19N3O4 — CID 78365711

IUPAC11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione
SMILESCC(C)c1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)COC3=O)cc1
InChIInChI=1S/C20H19N3O4/c1-10(2)11-5-7-12(8-6-11)14-15-13(9-27-19(15)25)21-17-16(14)18(24)23(4)20(26)22(17)3/h5-8,10H,9H2,1-4H3
InChIKeyOPDCHSMTBITRHC-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.09
Rot. Bonds2

About 11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione

11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione (PubChem CID 78365711) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione.

Molecular Properties

Compound Name11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione
PubChem CID78365711
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione
SMILESCC(C)c1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)COC3=O)cc1
InChIInChI=1S/C20H19N3O4/c1-10(2)11-5-7-12(8-6-11)14-15-13(9-27-19(15)25)21-17-16(14)18(24)23(4)20(26)22(17)3/h5-8,10H,9H2,1-4H3
InChIKeyOPDCHSMTBITRHC-UHFFFAOYSA-N
XLogP2.09
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione?
The IUPAC name of 11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione (CID 78365711) is 11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione.
What is the SMILES notation for 11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione?
The canonical SMILES for 11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione is CC(C)c1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)COC3=O)cc1.
What is the InChIKey of 11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione?
The InChIKey is OPDCHSMTBITRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-10(2)11-5-7-12(8-6-11)14-15-13(9-27-19(15)25)21-17-16(14)18(24)23(4)20(26)22(17)3/h5-8,10H,9H2,1-4H3.
What are the key properties of 11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione?
11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione has a molecular weight of 365.39 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-dimethyl-8-(4-propan-2-ylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione is sourced from PubChem (CID 78365711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).