4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C22H21NO2 — CID 2949632

IUPAC4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CC(c4ccccc4)C(C3)C2C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H21NO2/c24-21-19-16-11-17(15-9-5-2-6-10-15)18(12-16)20(19)22(25)23(21)13-14-7-3-1-4-8-14/h1-10,16-20H,11-13H2
InChIKeyJHGHFJZNDJPHAA-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.61
Rot. Bonds3

About 4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 2949632) has the molecular formula C22H21NO2 and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID2949632
Molecular FormulaC22H21NO2
Molecular Weight331.41 g/mol
Exact Mass331.16
IUPAC Name4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CC(c4ccccc4)C(C3)C2C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H21NO2/c24-21-19-16-11-17(15-9-5-2-6-10-15)18(12-16)20(19)22(25)23(21)13-14-7-3-1-4-8-14/h1-10,16-20H,11-13H2
InChIKeyJHGHFJZNDJPHAA-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(diphenylmethylene)-2-(2-hydroxyethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 3524533
2-benzyl-4,5,6,7-tetraphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
CID 2833385
4'-(2-Phenylethyl)-4'-azaspiro[cyclopropane-1,10'-tricyclo[5.2.1.0~2,6~]decane]-8'-ene-3',5'-dione
CID 2856677
4-Benzyl-10-(diphenylmethylene)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2871449
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 2924797
N-benzyl-2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanamide
CID 2925838
4-Benzyl-10-cyclohexylidene-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2962986
2-benzylhexahydro-1H-4,7-methanoisoindole-1,3-dione
CID 4523585
N-benzyl-N-butyl-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
CID 4608154
(3aR,9aS)-2-[3-[benzyl(methyl)amino]propyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
CID 44818781
2-(2-(4-benzylpiperazin-1-yl)-2-oxoethyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2906056
1-Benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2849902

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 2949632) is 4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1C2C3CC(c4ccccc4)C(C3)C2C(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is JHGHFJZNDJPHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-21-19-16-11-17(15-9-5-2-6-10-15)18(12-16)20(19)22(25)23(21)13-14-7-3-1-4-8-14/h1-10,16-20H,11-13H2.
What are the key properties of 4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 331.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 2949632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).