2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione

C33H34N2O3 — CID 166676476

IUPAC2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione
SMILESO=C(Cc1ccccc1)C1(c2ccccc2)C(=O)C(c2ccccc2)C23CCCCCN2CCCN3C1=O
InChIInChI=1S/C33H34N2O3/c36-28(24-25-14-5-1-6-15-25)33(27-18-9-3-10-19-27)30(37)29(26-16-7-2-8-17-26)32-20-11-4-12-21-34(32)22-13-23-35(32)31(33)38/h1-3,5-10,14-19,29H,4,11-13,20-24H2
InChIKeyULROQYOVBJKPDN-UHFFFAOYSA-N
MW506.65 g/mol
LogP4.91
Rot. Bonds5

About 2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione

2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione (PubChem CID 166676476) has the molecular formula C33H34N2O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione.

Molecular Properties

Compound Name2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione
PubChem CID166676476
Molecular FormulaC33H34N2O3
Molecular Weight506.65 g/mol
Exact Mass506.26
IUPAC Name2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione
SMILESO=C(Cc1ccccc1)C1(c2ccccc2)C(=O)C(c2ccccc2)C23CCCCCN2CCCN3C1=O
InChIInChI=1S/C33H34N2O3/c36-28(24-25-14-5-1-6-15-25)33(27-18-9-3-10-19-27)30(37)29(26-16-7-2-8-17-26)32-20-11-4-12-21-34(32)22-13-23-35(32)31(33)38/h1-3,5-10,14-19,29H,4,11-13,20-24H2
InChIKeyULROQYOVBJKPDN-UHFFFAOYSA-N
XLogP4.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-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-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058174
2,2-dimethyl-1-[1-(2-phenylacetyl)cyclopropyl]propan-1-one
CID 160648622
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058182
(1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile
CID 102350213
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 126790169
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641271
N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878006
1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 22314798
(9aR)-9a-benzyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylic acid
CID 66936383

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione?
The IUPAC name of 2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione (CID 166676476) is 2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione.
What is the SMILES notation for 2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione?
The canonical SMILES for 2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione is O=C(Cc1ccccc1)C1(c2ccccc2)C(=O)C(c2ccccc2)C23CCCCCN2CCCN3C1=O.
What is the InChIKey of 2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione?
The InChIKey is ULROQYOVBJKPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O3/c36-28(24-25-14-5-1-6-15-25)33(27-18-9-3-10-19-27)30(37)29(26-16-7-2-8-17-26)32-20-11-4-12-21-34(32)22-13-23-35(32)31(33)38/h1-3,5-10,14-19,29H,4,11-13,20-24H2.
What are the key properties of 2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione?
2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione has a molecular weight of 506.65 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-4-(2-phenylacetyl)-6,10-diazatricyclo[8.5.0.01,6]pentadecane-3,5-dione is sourced from PubChem (CID 166676476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).