N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

C20H18N2O3 — CID 54676959

IUPACN-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)c1
InChIInChI=1S/C20H18N2O3/c1-11-6-7-12(2)15(10-11)21-19(24)16-18(23)14-5-3-4-13-8-9-22(17(13)14)20(16)25/h3-7,10,23H,8-9H2,1-2H3,(H,21,24)
InChIKeyXSLDMAAEORCJFW-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.13
Rot. Bonds2

About N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (PubChem CID 54676959) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
PubChem CID54676959
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)c1
InChIInChI=1S/C20H18N2O3/c1-11-6-7-12(2)15(10-11)21-19(24)16-18(23)14-5-3-4-13-8-9-22(17(13)14)20(16)25/h3-7,10,23H,8-9H2,1-2H3,(H,21,24)
InChIKeyXSLDMAAEORCJFW-UHFFFAOYSA-N
XLogP3.13
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (CID 54676959) is N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is Cc1ccc(C)c(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The InChIKey is XSLDMAAEORCJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-11-6-7-12(2)15(10-11)21-19(24)16-18(23)14-5-3-4-13-8-9-22(17(13)14)20(16)25/h3-7,10,23H,8-9H2,1-2H3,(H,21,24).
What are the key properties of N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is sourced from PubChem (CID 54676959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).