(2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide

C23H25N3O2 — CID 177279997

IUPAC(2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1N(Cc2ccccc2)C(=O)[C@H]2CC3CCC21N3
InChIInChI=1S/C23H25N3O2/c27-21(24-14-16-7-3-1-4-8-16)20-23-12-11-18(25-23)13-19(23)22(28)26(20)15-17-9-5-2-6-10-17/h1-10,18-20,25H,11-15H2,(H,24,27)/t18?,19-,20+,23?/m1/s1
InChIKeyWRVBHOGNIRHQMI-XLLHFJCQSA-N
MW375.47 g/mol
LogP2.22
Rot. Bonds5

About (2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide

(2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide (PubChem CID 177279997) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide
PubChem CID177279997
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1N(Cc2ccccc2)C(=O)[C@H]2CC3CCC21N3
InChIInChI=1S/C23H25N3O2/c27-21(24-14-16-7-3-1-4-8-16)20-23-12-11-18(25-23)13-19(23)22(28)26(20)15-17-9-5-2-6-10-17/h1-10,18-20,25H,11-15H2,(H,24,27)/t18?,19-,20+,23?/m1/s1
InChIKeyWRVBHOGNIRHQMI-XLLHFJCQSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide 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 (2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide?
The IUPAC name of (2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide (CID 177279997) is (2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide.
What is the SMILES notation for (2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide?
The canonical SMILES for (2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide is O=C(NCc1ccccc1)[C@@H]1N(Cc2ccccc2)C(=O)[C@H]2CC3CCC21N3.
What is the InChIKey of (2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide?
The InChIKey is WRVBHOGNIRHQMI-XLLHFJCQSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-21(24-14-16-7-3-1-4-8-16)20-23-12-11-18(25-23)13-19(23)22(28)26(20)15-17-9-5-2-6-10-17/h1-10,18-20,25H,11-15H2,(H,24,27)/t18?,19-,20+,23?/m1/s1.
What are the key properties of (2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide?
(2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide is sourced from PubChem (CID 177279997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).