17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene

C21H27NO2 — CID 46217704

IUPAC17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene
SMILESCOc1cc2c(cc1OC)CCc1ccccc1CN(C)CCC2
InChIInChI=1S/C21H27NO2/c1-22-12-6-9-17-13-20(23-2)21(24-3)14-18(17)11-10-16-7-4-5-8-19(16)15-22/h4-5,7-8,13-14H,6,9-12,15H2,1-3H3
InChIKeyBBPJWNNVVYVFPR-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.87
Rot. Bonds2

About 17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene

17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene (PubChem CID 46217704) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene.

Molecular Properties

Compound Name17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene
PubChem CID46217704
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene
SMILESCOc1cc2c(cc1OC)CCc1ccccc1CN(C)CCC2
InChIInChI=1S/C21H27NO2/c1-22-12-6-9-17-13-20(23-2)21(24-3)14-18(17)11-10-16-7-4-5-8-19(16)15-22/h4-5,7-8,13-14H,6,9-12,15H2,1-3H3
InChIKeyBBPJWNNVVYVFPR-UHFFFAOYSA-N
XLogP3.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene?
The IUPAC name of 17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene (CID 46217704) is 17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene.
What is the SMILES notation for 17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene?
The canonical SMILES for 17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene is COc1cc2c(cc1OC)CCc1ccccc1CN(C)CCC2.
What is the InChIKey of 17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene?
The InChIKey is BBPJWNNVVYVFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-22-12-6-9-17-13-20(23-2)21(24-3)14-18(17)11-10-16-7-4-5-8-19(16)15-22/h4-5,7-8,13-14H,6,9-12,15H2,1-3H3.
What are the key properties of 17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene?
17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene has a molecular weight of 325.45 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene is sourced from PubChem (CID 46217704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).