2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane

C24H28N2O2 — CID 91070900

IUPAC2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane
SMILESCC.Cc1ccc(CNC(=O)c2cn3c4c(cccc4c2=O)C(C)C3C)cc1
InChIInChI=1S/C22H22N2O2.C2H6/c1-13-7-9-16(10-8-13)11-23-22(26)19-12-24-15(3)14(2)17-5-4-6-18(20(17)24)21(19)25;1-2/h4-10,12,14-15H,11H2,1-3H3,(H,23,26);1-2H3
InChIKeyDKBKVHVGUPXGMK-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.94
Rot. Bonds3

About 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane

2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane (PubChem CID 91070900) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane.

Molecular Properties

Compound Name2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane
PubChem CID91070900
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane
SMILESCC.Cc1ccc(CNC(=O)c2cn3c4c(cccc4c2=O)C(C)C3C)cc1
InChIInChI=1S/C22H22N2O2.C2H6/c1-13-7-9-16(10-8-13)11-23-22(26)19-12-24-15(3)14(2)17-5-4-6-18(20(17)24)21(19)25;1-2/h4-10,12,14-15H,11H2,1-3H3,(H,23,26);1-2H3
InChIKeyDKBKVHVGUPXGMK-UHFFFAOYSA-N
XLogP4.94
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane?
The IUPAC name of 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane (CID 91070900) is 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane.
What is the SMILES notation for 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane?
The canonical SMILES for 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane is CC.Cc1ccc(CNC(=O)c2cn3c4c(cccc4c2=O)C(C)C3C)cc1.
What is the InChIKey of 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane?
The InChIKey is DKBKVHVGUPXGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2.C2H6/c1-13-7-9-16(10-8-13)11-23-22(26)19-12-24-15(3)14(2)17-5-4-6-18(20(17)24)21(19)25;1-2/h4-10,12,14-15H,11H2,1-3H3,(H,23,26);1-2H3.
What are the key properties of 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane?
2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane has a molecular weight of 376.50 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane is sourced from PubChem (CID 91070900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).