methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen

C24H34N2O — CID 142283490

IUPACmethane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen
SMILESC.COc1ccc2c(c1)[C@H](CN1C[C@@H]3CCC1CN3c1ccccc1)CC2.[H][H]
InChIInChI=1S/C23H28N2O.CH4.H2/c1-26-22-12-9-17-7-8-18(23(17)13-22)14-24-15-21-11-10-20(24)16-25(21)19-5-3-2-4-6-19;;/h2-6,9,12-13,18,20-21H,7-8,10-11,14-16H2,1H3;1H4;1H/t18-,20?,21-;;/m0../s1
InChIKeyOFQOGYKECQTNFS-HJTALBKMSA-N
MW366.55 g/mol
LogP4.96
Rot. Bonds4

About methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen

methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen (PubChem CID 142283490) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen.

Molecular Properties

Compound Namemethane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen
PubChem CID142283490
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Namemethane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen
SMILESC.COc1ccc2c(c1)[C@H](CN1C[C@@H]3CCC1CN3c1ccccc1)CC2.[H][H]
InChIInChI=1S/C23H28N2O.CH4.H2/c1-26-22-12-9-17-7-8-18(23(17)13-22)14-24-15-21-11-10-20(24)16-25(21)19-5-3-2-4-6-19;;/h2-6,9,12-13,18,20-21H,7-8,10-11,14-16H2,1H3;1H4;1H/t18-,20?,21-;;/m0../s1
InChIKeyOFQOGYKECQTNFS-HJTALBKMSA-N
XLogP4.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen?
The IUPAC name of methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen (CID 142283490) is methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen.
What is the SMILES notation for methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen?
The canonical SMILES for methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen is C.COc1ccc2c(c1)[C@H](CN1C[C@@H]3CCC1CN3c1ccccc1)CC2.[H][H].
What is the InChIKey of methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen?
The InChIKey is OFQOGYKECQTNFS-HJTALBKMSA-N. The full InChI is InChI=1S/C23H28N2O.CH4.H2/c1-26-22-12-9-17-7-8-18(23(17)13-22)14-24-15-21-11-10-20(24)16-25(21)19-5-3-2-4-6-19;;/h2-6,9,12-13,18,20-21H,7-8,10-11,14-16H2,1H3;1H4;1H/t18-,20?,21-;;/m0../s1.
What are the key properties of methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen?
methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen has a molecular weight of 366.55 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen is sourced from PubChem (CID 142283490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).