8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C23H23NO2 — CID 3639320

IUPAC8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(c1ccccc1)N1C(=O)C2C3CC(c4ccccc4)C(C3)C2C1=O
InChIInChI=1S/C23H23NO2/c1-14(15-8-4-2-5-9-15)24-22(25)20-17-12-18(16-10-6-3-7-11-16)19(13-17)21(20)23(24)26/h2-11,14,17-21H,12-13H2,1H3
InChIKeyFDZKCQHNVWZCIJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.17
Rot. Bonds3

About 8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 3639320) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID3639320
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(c1ccccc1)N1C(=O)C2C3CC(c4ccccc4)C(C3)C2C1=O
InChIInChI=1S/C23H23NO2/c1-14(15-8-4-2-5-9-15)24-22(25)20-17-12-18(16-10-6-3-7-11-16)19(13-17)21(20)23(24)26/h2-11,14,17-21H,12-13H2,1H3
InChIKeyFDZKCQHNVWZCIJ-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 3639320) is 8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is CC(c1ccccc1)N1C(=O)C2C3CC(c4ccccc4)C(C3)C2C1=O.
What is the InChIKey of 8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is FDZKCQHNVWZCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-14(15-8-4-2-5-9-15)24-22(25)20-17-12-18(16-10-6-3-7-11-16)19(13-17)21(20)23(24)26/h2-11,14,17-21H,12-13H2,1H3.
What are the key properties of 8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 345.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-4-(1-phenylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 3639320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).