(5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene

C30H40N2O2 — CID 57339723

IUPAC(5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene
SMILESCOC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C/CCCCCCCCCCc1ccc2o1
InChIInChI=1S/C30H40N2O2/c1-33-30-23-28-29-21-20-26(34-29)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-24-18-19-25(31-24)22-27(30)32-28/h6,8,18-23,31H,2-5,7,9-17H2,1H3/b8-6+,27-22+
InChIKeyOZJXRAIKMOIUFA-UYVPSTCYSA-N
MW460.66 g/mol
LogP8.32
Rot. Bonds1

About (5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene

(5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene (PubChem CID 57339723) has the molecular formula C30H40N2O2 and a molecular weight of 460.66 g/mol. Its IUPAC name is (5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene.

Molecular Properties

Compound Name(5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene
PubChem CID57339723
Molecular FormulaC30H40N2O2
Molecular Weight460.66 g/mol
Exact Mass460.31
IUPAC Name(5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene
SMILESCOC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C/CCCCCCCCCCc1ccc2o1
InChIInChI=1S/C30H40N2O2/c1-33-30-23-28-29-21-20-26(34-29)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-24-18-19-25(31-24)22-27(30)32-28/h6,8,18-23,31H,2-5,7,9-17H2,1H3/b8-6+,27-22+
InChIKeyOZJXRAIKMOIUFA-UYVPSTCYSA-N
XLogP8.32
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.66
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene?
The IUPAC name of (5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene (CID 57339723) is (5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene.
What is the SMILES notation for (5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene?
The canonical SMILES for (5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene is COC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C/CCCCCCCCCCc1ccc2o1.
What is the InChIKey of (5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene?
The InChIKey is OZJXRAIKMOIUFA-UYVPSTCYSA-N. The full InChI is InChI=1S/C30H40N2O2/c1-33-30-23-28-29-21-20-26(34-29)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-24-18-19-25(31-24)22-27(30)32-28/h6,8,18-23,31H,2-5,7,9-17H2,1H3/b8-6+,27-22+.
What are the key properties of (5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene?
(5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene has a molecular weight of 460.66 g/mol, XLogP of 8.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene is sourced from PubChem (CID 57339723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).