5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol

C19H21NO4 — CID 14194058

IUPAC5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol
SMILESCOc1cc2c(cc1O)CC1c3c(ccc(OC)c3O2)CCN1C
InChIInChI=1S/C19H21NO4/c1-20-7-6-11-4-5-15(22-2)19-18(11)13(20)8-12-9-14(21)17(23-3)10-16(12)24-19/h4-5,9-10,13,21H,6-8H2,1-3H3
InChIKeyAYHLVGRPZNWNGK-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.29
Rot. Bonds2

About 5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol

5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol (PubChem CID 14194058) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol.

Molecular Properties

Compound Name5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol
PubChem CID14194058
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol
SMILESCOc1cc2c(cc1O)CC1c3c(ccc(OC)c3O2)CCN1C
InChIInChI=1S/C19H21NO4/c1-20-7-6-11-4-5-15(22-2)19-18(11)13(20)8-12-9-14(21)17(23-3)10-16(12)24-19/h4-5,9-10,13,21H,6-8H2,1-3H3
InChIKeyAYHLVGRPZNWNGK-UHFFFAOYSA-N
XLogP3.29
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol with MolForge

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Related Compounds

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(1R,14R)-9,20,21,25-tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
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(1R,15R)-9,21,26-trimethoxy-16,31-dimethyl-7,24-dioxa-16,31-diazaheptacyclo[23.6.2.23,6.115,19.08,13.028,32.023,34]hexatriaconta-3(36),4,6(35),8(13),9,11,19,21,23(34),25,27,32-dodecaen-22-ol
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(12R)-17-methoxy-11,18-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
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Frequently Asked Questions

What is the IUPAC name of 5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol?
The IUPAC name of 5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol (CID 14194058) is 5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol.
What is the SMILES notation for 5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol?
The canonical SMILES for 5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol is COc1cc2c(cc1O)CC1c3c(ccc(OC)c3O2)CCN1C.
What is the InChIKey of 5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol?
The InChIKey is AYHLVGRPZNWNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-20-7-6-11-4-5-15(22-2)19-18(11)13(20)8-12-9-14(21)17(23-3)10-16(12)24-19/h4-5,9-10,13,21H,6-8H2,1-3H3.
What are the key properties of 5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol?
5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol has a molecular weight of 327.38 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol is sourced from PubChem (CID 14194058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).