N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide

C24H24N2O3 — CID 2931358

IUPACN-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3C(=O)C4C5CCC(C5)C4C3=O)c2)c(C)c1
InChIInChI=1S/C24H24N2O3/c1-13-6-9-19(14(2)10-13)25-22(27)17-4-3-5-18(12-17)26-23(28)20-15-7-8-16(11-15)21(20)24(26)29/h3-6,9-10,12,15-16,20-21H,7-8,11H2,1-2H3,(H,25,27)
InChIKeyLERDLTLRPIETLD-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.09
Rot. Bonds3

About N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide

N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide (PubChem CID 2931358) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide
PubChem CID2931358
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3C(=O)C4C5CCC(C5)C4C3=O)c2)c(C)c1
InChIInChI=1S/C24H24N2O3/c1-13-6-9-19(14(2)10-13)25-22(27)17-4-3-5-18(12-17)26-23(28)20-15-7-8-16(11-15)21(20)24(26)29/h3-6,9-10,12,15-16,20-21H,7-8,11H2,1-2H3,(H,25,27)
InChIKeyLERDLTLRPIETLD-UHFFFAOYSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide (CID 2931358) is N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide is Cc1ccc(NC(=O)c2cccc(N3C(=O)C4C5CCC(C5)C4C3=O)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide?
The InChIKey is LERDLTLRPIETLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-13-6-9-19(14(2)10-13)25-22(27)17-4-3-5-18(12-17)26-23(28)20-15-7-8-16(11-15)21(20)24(26)29/h3-6,9-10,12,15-16,20-21H,7-8,11H2,1-2H3,(H,25,27).
What are the key properties of N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide?
N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide is sourced from PubChem (CID 2931358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).