(10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene

C25H27NO — CID 102241228

IUPAC(10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene
SMILESCN1Cc2ccccc2-c2ccccc2CCOC[C@@H]1Cc1ccccc1
InChIInChI=1S/C25H27NO/c1-26-18-22-12-6-8-14-25(22)24-13-7-5-11-21(24)15-16-27-19-23(26)17-20-9-3-2-4-10-20/h2-14,23H,15-19H2,1H3/t23-/m0/s1
InChIKeyLNXLBVIQZAWXLH-QHCPKHFHSA-N
MW357.50 g/mol
LogP4.97
Rot. Bonds2

About (10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene

(10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene (PubChem CID 102241228) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene.

Molecular Properties

Compound Name(10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene
PubChem CID102241228
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene
SMILESCN1Cc2ccccc2-c2ccccc2CCOC[C@@H]1Cc1ccccc1
InChIInChI=1S/C25H27NO/c1-26-18-22-12-6-8-14-25(22)24-13-7-5-11-21(24)15-16-27-19-23(26)17-20-9-3-2-4-10-20/h2-14,23H,15-19H2,1H3/t23-/m0/s1
InChIKeyLNXLBVIQZAWXLH-QHCPKHFHSA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene?
The IUPAC name of (10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene (CID 102241228) is (10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene.
What is the SMILES notation for (10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene?
The canonical SMILES for (10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene is CN1Cc2ccccc2-c2ccccc2CCOC[C@@H]1Cc1ccccc1.
What is the InChIKey of (10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene?
The InChIKey is LNXLBVIQZAWXLH-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27NO/c1-26-18-22-12-6-8-14-25(22)24-13-7-5-11-21(24)15-16-27-19-23(26)17-20-9-3-2-4-10-20/h2-14,23H,15-19H2,1H3/t23-/m0/s1.
What are the key properties of (10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene?
(10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene has a molecular weight of 357.50 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene is sourced from PubChem (CID 102241228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).