(1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione

C20H24N2O2 — CID 101115010

IUPAC(1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione
SMILESO=C1N2CCC[C@]23C(=O)N[C@]1(Cc1ccccc1)[C@H]1CCCC[C@H]13
InChIInChI=1S/C20H24N2O2/c23-17-20-11-6-12-22(20)18(24)19(21-17,13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)20/h1-3,7-8,15-16H,4-6,9-13H2,(H,21,23)/t15-,16+,19+,20-/m0/s1
InChIKeyMEKOYMUKOHTVRH-FIYPYCPBSA-N
MW324.42 g/mol
LogP2.28
Rot. Bonds2

About (1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione

(1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione (PubChem CID 101115010) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione.

Molecular Properties

Compound Name(1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione
PubChem CID101115010
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione
SMILESO=C1N2CCC[C@]23C(=O)N[C@]1(Cc1ccccc1)[C@H]1CCCC[C@H]13
InChIInChI=1S/C20H24N2O2/c23-17-20-11-6-12-22(20)18(24)19(21-17,13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)20/h1-3,7-8,15-16H,4-6,9-13H2,(H,21,23)/t15-,16+,19+,20-/m0/s1
InChIKeyMEKOYMUKOHTVRH-FIYPYCPBSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione?
The IUPAC name of (1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione (CID 101115010) is (1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione.
What is the SMILES notation for (1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione?
The canonical SMILES for (1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione is O=C1N2CCC[C@]23C(=O)N[C@]1(Cc1ccccc1)[C@H]1CCCC[C@H]13.
What is the InChIKey of (1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione?
The InChIKey is MEKOYMUKOHTVRH-FIYPYCPBSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-17-20-11-6-12-22(20)18(24)19(21-17,13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)20/h1-3,7-8,15-16H,4-6,9-13H2,(H,21,23)/t15-,16+,19+,20-/m0/s1.
What are the key properties of (1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione?
(1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione has a molecular weight of 324.42 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7S,8R)-8-benzyl-10,15-diazatetracyclo[6.5.2.01,10.02,7]pentadecane-9,14-dione is sourced from PubChem (CID 101115010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).