1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione

C24H24N2O3 — CID 102179527

IUPAC1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione
SMILESCC1(C)[C@@H]2CC[C@]13C(=O)N(c1ccccc1)N(C(=O)C(=O)c1ccccc1)[C@@H]3C2
InChIInChI=1S/C24H24N2O3/c1-23(2)17-13-14-24(23)19(15-17)26(21(28)20(27)16-9-5-3-6-10-16)25(22(24)29)18-11-7-4-8-12-18/h3-12,17,19H,13-15H2,1-2H3/t17-,19-,24+/m1/s1
InChIKeyIPNUBHOSUIDOLO-YJLYGGOZSA-N
MW388.47 g/mol
LogP3.85
Rot. Bonds3

About 1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione

1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione (PubChem CID 102179527) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione
PubChem CID102179527
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione
SMILESCC1(C)[C@@H]2CC[C@]13C(=O)N(c1ccccc1)N(C(=O)C(=O)c1ccccc1)[C@@H]3C2
InChIInChI=1S/C24H24N2O3/c1-23(2)17-13-14-24(23)19(15-17)26(21(28)20(27)16-9-5-3-6-10-16)25(22(24)29)18-11-7-4-8-12-18/h3-12,17,19H,13-15H2,1-2H3/t17-,19-,24+/m1/s1
InChIKeyIPNUBHOSUIDOLO-YJLYGGOZSA-N
XLogP3.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione?
The IUPAC name of 1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione (CID 102179527) is 1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione?
The canonical SMILES for 1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione is CC1(C)[C@@H]2CC[C@]13C(=O)N(c1ccccc1)N(C(=O)C(=O)c1ccccc1)[C@@H]3C2.
What is the InChIKey of 1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione?
The InChIKey is IPNUBHOSUIDOLO-YJLYGGOZSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-23(2)17-13-14-24(23)19(15-17)26(21(28)20(27)16-9-5-3-6-10-16)25(22(24)29)18-11-7-4-8-12-18/h3-12,17,19H,13-15H2,1-2H3/t17-,19-,24+/m1/s1.
What are the key properties of 1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione?
1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione has a molecular weight of 388.47 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R,7R)-10,10-dimethyl-2-oxo-3-phenyl-3,4-diazatricyclo[5.2.1.01,5]decan-4-yl]-2-phenylethane-1,2-dione is sourced from PubChem (CID 102179527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).