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

C23H22N2O3 — CID 3651866

IUPAC3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(N2C(=O)C3C4CCC(C4)C3C2=O)c1
InChIInChI=1S/C23H22N2O3/c1-13-5-2-3-8-18(13)24-21(26)16-6-4-7-17(12-16)25-22(27)19-14-9-10-15(11-14)20(19)23(25)28/h2-8,12,14-15,19-20H,9-11H2,1H3,(H,24,26)
InChIKeyOMHCSTNRUFTNPW-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.78
Rot. Bonds3

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

3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide (PubChem CID 3651866) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide
PubChem CID3651866
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(N2C(=O)C3C4CCC(C4)C3C2=O)c1
InChIInChI=1S/C23H22N2O3/c1-13-5-2-3-8-18(13)24-21(26)16-6-4-7-17(12-16)25-22(27)19-14-9-10-15(11-14)20(19)23(25)28/h2-8,12,14-15,19-20H,9-11H2,1H3,(H,24,26)
InChIKeyOMHCSTNRUFTNPW-UHFFFAOYSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.78
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 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide (CID 3651866) is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1cccc(N2C(=O)C3C4CCC(C4)C3C2=O)c1.
What is the InChIKey of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide?
The InChIKey is OMHCSTNRUFTNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-13-5-2-3-8-18(13)24-21(26)16-6-4-7-17(12-16)25-22(27)19-14-9-10-15(11-14)20(19)23(25)28/h2-8,12,14-15,19-20H,9-11H2,1H3,(H,24,26).
What are the key properties of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide?
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 3651866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).