8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol

C26H28N2O3 — CID 162893229

IUPAC8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol
SMILESCOc1ccc2c(c1)N(c1ccccc1)C1C3C(O)OCC=C4CN5CCC21C5CC43
InChIInChI=1S/C26H28N2O3/c1-30-18-7-8-20-21(13-18)28(17-5-3-2-4-6-17)24-23-19-14-22-26(20,24)10-11-27(22)15-16(19)9-12-31-25(23)29/h2-9,13,19,22-25,29H,10-12,14-15H2,1H3
InChIKeySFPUGLCORRDRNH-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.45
Rot. Bonds2

About 8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol

8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol (PubChem CID 162893229) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol.

Molecular Properties

Compound Name8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol
PubChem CID162893229
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol
SMILESCOc1ccc2c(c1)N(c1ccccc1)C1C3C(O)OCC=C4CN5CCC21C5CC43
InChIInChI=1S/C26H28N2O3/c1-30-18-7-8-20-21(13-18)28(17-5-3-2-4-6-17)24-23-19-14-22-26(20,24)10-11-27(22)15-16(19)9-12-31-25(23)29/h2-9,13,19,22-25,29H,10-12,14-15H2,1H3
InChIKeySFPUGLCORRDRNH-UHFFFAOYSA-N
XLogP3.45
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol?
The IUPAC name of 8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol (CID 162893229) is 8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol.
What is the SMILES notation for 8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol?
The canonical SMILES for 8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol is COc1ccc2c(c1)N(c1ccccc1)C1C3C(O)OCC=C4CN5CCC21C5CC43.
What is the InChIKey of 8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol?
The InChIKey is SFPUGLCORRDRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-30-18-7-8-20-21(13-18)28(17-5-3-2-4-6-17)24-23-19-14-22-26(20,24)10-11-27(22)15-16(19)9-12-31-25(23)29/h2-9,13,19,22-25,29H,10-12,14-15H2,1H3.
What are the key properties of 8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol?
8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol has a molecular weight of 416.52 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-11-phenyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-ol is sourced from PubChem (CID 162893229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).