4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C23H24N2O2 — CID 4609485

IUPAC4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3NCc3ccccc3)C2C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H24N2O2/c26-22-19-17-11-12-18(21(17)24-13-15-7-3-1-4-8-15)20(19)23(27)25(22)14-16-9-5-2-6-10-16/h1-10,17-21,24H,11-14H2
InChIKeyRAKHRCAHNDHPHV-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.99
Rot. Bonds5

About 4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 4609485) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID4609485
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3NCc3ccccc3)C2C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H24N2O2/c26-22-19-17-11-12-18(21(17)24-13-15-7-3-1-4-8-15)20(19)23(27)25(22)14-16-9-5-2-6-10-16/h1-10,17-21,24H,11-14H2
InChIKeyRAKHRCAHNDHPHV-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.99
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 4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 4609485) is 4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1C2C3CCC(C3NCc3ccccc3)C2C(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is RAKHRCAHNDHPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22-19-17-11-12-18(21(17)24-13-15-7-3-1-4-8-15)20(19)23(27)25(22)14-16-9-5-2-6-10-16/h1-10,17-21,24H,11-14H2.
What are the key properties of 4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 360.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-10-(benzylamino)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 4609485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).