(11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene

C24H25NO — CID 6612787

IUPAC(11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene
SMILESCN1Cc2ccccc2-c2ccccc2COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H25NO/c1-25-16-20-11-5-7-13-23(20)24-14-8-6-12-21(24)17-26-18-22(25)15-19-9-3-2-4-10-19/h2-14,22H,15-18H2,1H3/t22-/m0/s1
InChIKeyMVRSVWZKCOGLRK-QFIPXVFZSA-N
MW343.47 g/mol
LogP4.93
Rot. Bonds2

About (11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene

(11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene (PubChem CID 6612787) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene.

Molecular Properties

Compound Name(11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene
PubChem CID6612787
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene
SMILESCN1Cc2ccccc2-c2ccccc2COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H25NO/c1-25-16-20-11-5-7-13-23(20)24-14-8-6-12-21(24)17-26-18-22(25)15-19-9-3-2-4-10-19/h2-14,22H,15-18H2,1H3/t22-/m0/s1
InChIKeyMVRSVWZKCOGLRK-QFIPXVFZSA-N
XLogP4.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene?
The IUPAC name of (11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene (CID 6612787) is (11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene.
What is the SMILES notation for (11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene?
The canonical SMILES for (11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene is CN1Cc2ccccc2-c2ccccc2COC[C@@H]1Cc1ccccc1.
What is the InChIKey of (11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene?
The InChIKey is MVRSVWZKCOGLRK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25NO/c1-25-16-20-11-5-7-13-23(20)24-14-8-6-12-21(24)17-26-18-22(25)15-19-9-3-2-4-10-19/h2-14,22H,15-18H2,1H3/t22-/m0/s1.
What are the key properties of (11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene?
(11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene has a molecular weight of 343.47 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-benzyl-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene is sourced from PubChem (CID 6612787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).