(1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

C22H24N2O3 — CID 135094364

IUPAC(1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESO=C1N[C@@H]2COC[C@H]1CN(C(=O)CC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C22H24N2O3/c25-21(24-12-18-14-27-15-19(13-24)23-22(18)26)11-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,23,26)/t18-,19+/m1/s1
InChIKeyRVPRGJDFFSFYPY-MOPGFXCFSA-N
MW364.44 g/mol
LogP2.18
Rot. Bonds4

About (1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

(1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 135094364) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is (1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name(1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID135094364
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name(1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESO=C1N[C@@H]2COC[C@H]1CN(C(=O)CC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C22H24N2O3/c25-21(24-12-18-14-27-15-19(13-24)23-22(18)26)11-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,23,26)/t18-,19+/m1/s1
InChIKeyRVPRGJDFFSFYPY-MOPGFXCFSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of (1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (CID 135094364) is (1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for (1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for (1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is O=C1N[C@@H]2COC[C@H]1CN(C(=O)CC(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of (1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is RVPRGJDFFSFYPY-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21(24-12-18-14-27-15-19(13-24)23-22(18)26)11-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,23,26)/t18-,19+/m1/s1.
What are the key properties of (1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
(1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 364.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-(3,3-diphenylpropanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 135094364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).