16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene

C20H29NO4 — CID 24869400

IUPAC16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene
SMILESCOC1=C(OC)C2=C(CC1)CC1C3CC4OCOC4CC3CCN1C2
InChIInChI=1S/C20H29NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h13-14,16,18-19H,3-11H2,1-2H3
InChIKeyRGAUNSXGSUQSRV-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.83
Rot. Bonds2

About 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene

16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene (PubChem CID 24869400) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene.

Molecular Properties

Compound Name16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene
PubChem CID24869400
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene
SMILESCOC1=C(OC)C2=C(CC1)CC1C3CC4OCOC4CC3CCN1C2
InChIInChI=1S/C20H29NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h13-14,16,18-19H,3-11H2,1-2H3
InChIKeyRGAUNSXGSUQSRV-UHFFFAOYSA-N
XLogP2.83
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene?
The IUPAC name of 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene (CID 24869400) is 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene.
What is the SMILES notation for 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene?
The canonical SMILES for 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene is COC1=C(OC)C2=C(CC1)CC1C3CC4OCOC4CC3CCN1C2.
What is the InChIKey of 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene?
The InChIKey is RGAUNSXGSUQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h13-14,16,18-19H,3-11H2,1-2H3.
What are the key properties of 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene?
16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene has a molecular weight of 347.46 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-15(20),16-diene is sourced from PubChem (CID 24869400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).