3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol

C21H25NO4 — CID 162988763

IUPAC3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol
SMILESCOc1c(O)cc2c(c1OC)-c1c(O)c(C)cc3c1C(CC2)N(C)CC3
InChIInChI=1S/C21H25NO4/c1-11-9-13-7-8-22(2)14-6-5-12-10-15(23)20(25-3)21(26-4)17(12)18(16(13)14)19(11)24/h9-10,14,23-24H,5-8H2,1-4H3
InChIKeyDDXHVVWNQKETMA-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.57
Rot. Bonds2

About 3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol

3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol (PubChem CID 162988763) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol.

Molecular Properties

Compound Name3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol
PubChem CID162988763
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol
SMILESCOc1c(O)cc2c(c1OC)-c1c(O)c(C)cc3c1C(CC2)N(C)CC3
InChIInChI=1S/C21H25NO4/c1-11-9-13-7-8-22(2)14-6-5-12-10-15(23)20(25-3)21(26-4)17(12)18(16(13)14)19(11)24/h9-10,14,23-24H,5-8H2,1-4H3
InChIKeyDDXHVVWNQKETMA-UHFFFAOYSA-N
XLogP3.57
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol?
The IUPAC name of 3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol (CID 162988763) is 3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol.
What is the SMILES notation for 3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol?
The canonical SMILES for 3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol is COc1c(O)cc2c(c1OC)-c1c(O)c(C)cc3c1C(CC2)N(C)CC3.
What is the InChIKey of 3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol?
The InChIKey is DDXHVVWNQKETMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-11-9-13-7-8-22(2)14-6-5-12-10-15(23)20(25-3)21(26-4)17(12)18(16(13)14)19(11)24/h9-10,14,23-24H,5-8H2,1-4H3.
What are the key properties of 3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol?
3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol has a molecular weight of 355.43 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol is sourced from PubChem (CID 162988763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).