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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dicyclohexyl-N-{(3aS,4S,6aR)-2-[3-(trifluoromethyl)benzyl]octahydrocyclopenta[c]pyrrol-4-yl}acetamide
CID 46213054
N-[(3aS,4S,6aR)-2-[(4-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 46213110
N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide
CID 46213365
2,2-diphenyl-N-{(3aS*,4S*,6aR*)-2-[3-(trifluoromethyl)benzyl]octahydrocyclopenta[c]pyrrol-4-yl}acetamide
CID 46213687
N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-bis(4-fluorophenyl)acetamide
CID 66590556
N-[(3aS,4S,6aR)-2-[(3-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 66590677
N-[(3aS,4S,6aR)-2-[(3-methylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 66590699
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
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-1,2,3,4-tetrahydronaphthalen-1-ylpropanamide
CID 3235764
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-1,2,3,4-tetrahydronaphthalen-1-ylacetamide
CID 3242710

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).