2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane

C24H26N2O2 — CID 91001754

IUPAC2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane
SMILESCC.Cc1ccc(CNC(=O)c2cn3c(C)c(C)c4cccc(c2=O)c43)cc1
InChIInChI=1S/C22H20N2O2.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/h4-10,12H,11H2,1-3H3,(H,23,26);1-2H3
InChIKeyIVVGSCIBCHUPCC-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.77
Rot. Bonds3

About 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane

2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane (PubChem CID 91001754) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane.

Molecular Properties

Compound Name2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane
PubChem CID91001754
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane
SMILESCC.Cc1ccc(CNC(=O)c2cn3c(C)c(C)c4cccc(c2=O)c43)cc1
InChIInChI=1S/C22H20N2O2.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/h4-10,12H,11H2,1-3H3,(H,23,26);1-2H3
InChIKeyIVVGSCIBCHUPCC-UHFFFAOYSA-N
XLogP4.77
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[(4-chlorophenyl)methyl]-2,2,4-trimethyl-10-oxo-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 21360728
N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574394
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
CID 110691242
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
CID 142006209
1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 97244759
N-benzyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132412
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 168517927
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899

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-2,4(12),5,7,10-pentaene-10-carboxamide;ethane?
The IUPAC name of 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane (CID 91001754) is 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-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-2,4(12),5,7,10-pentaene-10-carboxamide;ethane?
The canonical SMILES for 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane is CC.Cc1ccc(CNC(=O)c2cn3c(C)c(C)c4cccc(c2=O)c43)cc1.
What is the InChIKey of 2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane?
The InChIKey is IVVGSCIBCHUPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2.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/h4-10,12H,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-2,4(12),5,7,10-pentaene-10-carboxamide;ethane?
2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane has a molecular weight of 374.48 g/mol, XLogP of 4.77, 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-2,4(12),5,7,10-pentaene-10-carboxamide;ethane is sourced from PubChem (CID 91001754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).