4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C22H21NO3 — CID 3277536

IUPAC4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCOc1ccccc1N1C(=O)C2C3CC(c4ccccc4)C(C3)C2C1=O
InChIInChI=1S/C22H21NO3/c1-26-18-10-6-5-9-17(18)23-21(24)19-14-11-15(13-7-3-2-4-8-13)16(12-14)20(19)22(23)25/h2-10,14-16,19-20H,11-12H2,1H3
InChIKeyDFGBJOCJIRNYHE-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.62
Rot. Bonds3

About 4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 3277536) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID3277536
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCOc1ccccc1N1C(=O)C2C3CC(c4ccccc4)C(C3)C2C1=O
InChIInChI=1S/C22H21NO3/c1-26-18-10-6-5-9-17(18)23-21(24)19-14-11-15(13-7-3-2-4-8-13)16(12-14)20(19)22(23)25/h2-10,14-16,19-20H,11-12H2,1H3
InChIKeyDFGBJOCJIRNYHE-UHFFFAOYSA-N
XLogP3.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
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-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 3277536) is 4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is COc1ccccc1N1C(=O)C2C3CC(c4ccccc4)C(C3)C2C1=O.
What is the InChIKey of 4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is DFGBJOCJIRNYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-26-18-10-6-5-9-17(18)23-21(24)19-14-11-15(13-7-3-2-4-8-13)16(12-14)20(19)22(23)25/h2-10,14-16,19-20H,11-12H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 347.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 3277536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).